Record Information
Version1.0
Creation date2010-04-08 22:14:49 UTC
Update date2015-07-21 06:42:40 UTC
Primary IDFDB020126
Secondary Accession NumbersNot Available
Chemical Information
FooDB NamePotassium gluconate
DescriptionDietary supplement (potassium), sequestrant Potassium gluconate is a mineral supplement and sequestrant.
CAS Number299-27-4
Structure
Thumb
Synonyms
SynonymSource
2,3,4,5,6-Pentahydroxycaproic acid potassium saltbiospider
D-gluconic acid potassium saltbiospider
D-gluconic acid, monopotassium saltbiospider
D-gluconic acid, potassium saltbiospider
D-Gluconic acid, potassium salt (1:1)biospider
E577db_source
Gluconic acid potassium saltbiospider
Gluconic acid, monopotassium saltbiospider
Gluconic acid, monopotassium salt, d-biospider
Gluconsan kbiospider
Gluconsan-kbiospider
Gluconsan-k (TN)biospider
Hglnahrng[CHBya[n{mjjjhbvaup@biospider
K-iaobiospider
Kalium gluconatebiospider
Kalium-betabiospider
KAONbiospider
Kaon elixirbiospider
Katorinbiospider
KOKbiospider
Kolyumbiospider
Monopotassium d-gluconatebiospider
Potaliumbiospider
Potasoralbiospider
Potassium d-gluconatebiospider
Potassium gluconatedb_source
Potassium gluconate (jan/usp)biospider
Potassium gluconate [usan:jan]biospider
Potassium gluconate anhydrousbiospider
Potassiumd-gluconatebiospider
Potassurilbiospider
Sirokalbiospider
Predicted Properties
PropertyValueSource
Water Solubility833 g/LALOGPS
logP-1.9ALOGPS
logP-3.4ChemAxon
logS0.55ALOGPS
pKa (Strongest Acidic)3.39ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area141.28 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity49.11 m³·mol⁻¹ChemAxon
Polarizability16.75 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC6H11KO7
IUPAC namepotassium 2,3,4,5,6-pentahydroxyhexanoate
InChI IdentifierInChI=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 KeyHLCFGWHYROZGBI-UHFFFAOYSA-M
Isomeric SMILES[K+].OCC(O)C(O)C(O)C(O)C([O-])=O
Average Molecular Weight234.2456
Monoisotopic Molecular Weight234.014184567
Classification
DescriptionThis compound belongs to the class of chemical entities known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
KingdomChemical entities
Super ClassOrganic compounds
ClassOrganic acids and derivatives
Sub ClassHydroxy acids and derivatives
Direct ParentMedium-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 FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointMp 183° dec.DFC
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical Rotation[a]20D +11.7 (c, 1.2 in H2O)DFC
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot AvailableView in JSpectraViewer
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID16760467
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDCBW08-O:MKS59-B
EAFUS ID3125
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDrw1099571
SuperScent IDNot Available
Wikipedia IDPotassium_gluconate
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
odorless
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference