| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation date | 2010-04-08 22:14:49 UTC |
|---|
| Update date | 2025-11-19 02:28:15 UTC |
|---|
| Primary ID | FDB020126 |
|---|
| Secondary Accession Numbers | Not Available |
|---|
| Chemical Information |
|---|
| FooDB Name | Potassium gluconate |
|---|
| 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. |
|---|
| CAS Number | 299-27-4 |
|---|
| Structure | |
|---|
| Synonyms | | Synonym | Source |
|---|
| 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 |
|
|---|
| Predicted Properties | |
|---|
| Chemical Formula | C6H11KO7 |
|---|
| IUPAC name | potassium 2,3,4,5,6-pentahydroxyhexanoate |
|---|
| 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 |
|---|
| InChI Key | HLCFGWHYROZGBI-UHFFFAOYSA-M |
|---|
| Isomeric SMILES | [K+].OCC(O)C(O)C(O)C(O)C([O-])=O |
|---|
| Average Molecular Weight | 234.2456 |
|---|
| Monoisotopic Molecular Weight | 234.014184567 |
|---|
| Classification |
|---|
| 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. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organic acids and derivatives |
|---|
| Class | Hydroxy acids and derivatives |
|---|
| Sub Class | Medium-chain hydroxy acids and derivatives |
|---|
| Direct Parent | Medium-chain hydroxy acids and derivatives |
|---|
| Alternative Parents | |
|---|
| 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
|
|---|
| Molecular Framework | Aliphatic acyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Ontology |
|---|
| Ontology | No ontology term |
|---|
| Physico-Chemical Properties |
|---|
| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
|---|
| Physical state | Not Available | |
|---|
| Physical Description | Not Available | |
|---|
| Mass Composition | Not Available | |
|---|
| Melting Point | Mp 183° dec. | DFC |
|---|
| Boiling Point | Not Available | |
|---|
| Experimental Water Solubility | Not Available | |
|---|
| Experimental logP | Not Available | |
|---|
| Experimental pKa | Not Available | |
|---|
| Isoelectric point | Not Available | |
|---|
| Charge | Not Available | |
|---|
| Optical Rotation | [a]20D +11.7 (c, 1.2 in H2O) | DFC |
|---|
| Spectroscopic UV Data | Not Available | |
|---|
| Density | Not Available | |
|---|
| Refractive Index | Not Available | |
|---|
|
|---|
| Spectra |
|---|
| Spectra | |
|---|
| EI-MS/GC-MS | Not Available |
|---|
| MS/MS | | Type | Description | Splash Key | View |
|---|
| 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 |
|
|---|
| NMR | Not Available |
|---|
| External Links |
|---|
| ChemSpider ID | 8374063 |
|---|
| ChEMBL ID | Not Available |
|---|
| KEGG Compound ID | Not Available |
|---|
| Pubchem Compound ID | 16760467 |
|---|
| Pubchem Substance ID | Not Available |
|---|
| ChEBI ID | Not Available |
|---|
| Phenol-Explorer ID | Not Available |
|---|
| DrugBank ID | Not Available |
|---|
| HMDB ID | Not Available |
|---|
| CRC / DFC (Dictionary of Food Compounds) ID | CBW08-O:MKS59-B |
|---|
| EAFUS ID | 3125 |
|---|
| Dr. Duke ID | Not Available |
|---|
| BIGG ID | Not Available |
|---|
| KNApSAcK ID | Not Available |
|---|
| HET ID | Not Available |
|---|
| Food Biomarker Ontology | Not Available |
|---|
| VMH ID | Not Available |
|---|
| Flavornet ID | Not Available |
|---|
| GoodScent ID | rw1099571 |
|---|
| SuperScent ID | Not Available |
|---|
| Wikipedia ID | Potassium_gluconate |
|---|
| Phenol-Explorer Metabolite ID | Not Available |
|---|
| Duplicate IDS | Not Available |
|---|
| Old DFC IDS | Not Available |
|---|
| Associated Foods |
|---|
| Food | Content Range | Average | Reference |
|---|
| Food | | | Reference |
|---|
|
| Biological Effects and Interactions |
|---|
| Health Effects / Bioactivities | Not Available |
|---|
| Enzymes | Not Available |
|---|
| Pathways | Not Available |
|---|
| Metabolism | Not Available |
|---|
| Biosynthesis | Not Available |
|---|
| Organoleptic Properties |
|---|
| Flavours | | Flavor | Citations |
|---|
| odorless |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
|
|
|---|
| Files |
|---|
| MSDS | Not Available |
|---|
| References |
|---|
| Synthesis Reference | Not Available |
|---|
| General Reference | Not Available |
|---|
| Content Reference | |
|---|
