| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:14:49 UTC |
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| Update date | 2015-07-21 06:42:40 UTC |
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| Primary ID | FDB020126 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Potassium gluconate |
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| Description | potassium 2,3,4,5,6-pentahydroxyhexanoate belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain. Based on a literature review very few articles have been published on potassium 2,3,4,5,6-pentahydroxyhexanoate. |
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| CAS Number | 299-27-4 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Potassium 2,3,4,5,6-pentahydroxyhexanoic acid | Generator | | Potassium gluconic acid | Generator | | 2,3,4,5,6-Pentahydroxycaproic acid potassium salt | biospider | | D-gluconic acid potassium salt | biospider | | D-gluconic acid, monopotassium salt | biospider | | D-gluconic acid, potassium salt | biospider | | D-Gluconic acid, potassium salt (1:1) | biospider | | E577 | db_source | | Gluconic acid potassium salt | biospider | | Gluconic acid, monopotassium salt | biospider | | Gluconic acid, monopotassium salt, d- | biospider | | Gluconsan k | biospider | | Gluconsan-k | biospider | | Gluconsan-k (TN) | biospider | | Hglnahrng[CHBya[n{mjjjhbvaup@ | biospider | | K-iao | biospider | | Kalium gluconate | biospider | | Kalium-beta | biospider | | KAON | biospider | | Kaon elixir | biospider | | Katorin | biospider | | KOK | biospider | | Kolyum | biospider | | Monopotassium d-gluconate | biospider | | Potalium | biospider | | Potasoral | biospider | | Potassium d-gluconate | biospider | | Potassium gluconate | db_source | | Potassium gluconate (jan/usp) | biospider | | Potassium gluconate [usan:jan] | biospider | | Potassium gluconate anhydrous | biospider | | Potassiumd-gluconate | biospider | | Potassuril | biospider | | Sirokal | biospider |
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| Predicted Properties | |
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| Chemical Formula | C6H11KO7 |
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| IUPAC name | potassium 2,3,4,5,6-pentahydroxyhexanoate |
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| InChI Identifier | InChI=1S/C6H12O7.K/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+1/p-1 |
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| InChI Key | HLCFGWHYROZGBI-UHFFFAOYSA-M |
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| Isomeric SMILES | [K+].OCC(O)C(O)C(O)C(O)C([O-])=O |
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| Average Molecular Weight | 234.2456 |
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| Monoisotopic Molecular Weight | 234.014184567 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Hydroxy acids and derivatives |
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| Sub Class | Medium-chain hydroxy acids and derivatives |
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| Direct Parent | Medium-chain hydroxy acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Medium-chain hydroxy acid
- Medium-chain fatty acid
- Beta-hydroxy acid
- Hydroxy fatty acid
- Monosaccharide
- Fatty acyl
- Fatty acid
- Carboxylic acid salt
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Organic alkali metal salt
- Monocarboxylic acid or derivatives
- Polyol
- Organic potassium salt
- Carbonyl group
- Organic oxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organooxygen compound
- Alcohol
- Primary alcohol
- Organic salt
- Organic zwitterion
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Ontology | No ontology term |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
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| Physical state | Not Available | |
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| Physical Description | Not Available | |
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| Mass Composition | Not Available | |
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| Melting Point | Mp 183° dec. | DFC |
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| Boiling Point | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Experimental logP | Not Available | |
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| Experimental pKa | Not Available | |
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| Isoelectric point | Not Available | |
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| Charge | Not Available | |
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| Optical Rotation | [a]20D +11.7 (c, 1.2 in H2O) | DFC |
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| Spectroscopic UV Data | Not Available | |
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| Density | Not Available | |
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| Refractive Index | Not Available | |
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| Spectra |
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| Spectra | |
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| EI-MS/GC-MS | Not Available |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-2910000000-073e8a55ae40c300e0f7 | 2019-02-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03dj-9700000000-660ddb623f74f067bacb | 2019-02-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-06vj-9100000000-b25ba6db75d1f033df68 | 2019-02-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0kor-9800000000-9200c8315022864d2d73 | 2019-02-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-9300000000-034b93247d9adef5d466 | 2019-02-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-9000000000-536481f50c62a062acbe | 2019-02-23 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | Not Available |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | 16760467 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | Not Available |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| CRC / DFC (Dictionary of Food Compounds) ID | CBW08-O:MKS59-B |
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| EAFUS ID | 3125 |
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| Dr. Duke ID | Not Available |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | rw1099571 |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Potassium_gluconate |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | | Flavor | Citations |
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| odorless |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | |
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