ContaminantDB: POTASSIUM GLUCONATE

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 02:23:27 UTC

Update Date

2016-11-09 01:09:53 UTC

Accession Number

CHEM007266

Identification

Common Name

POTASSIUM GLUCONATE

Class

Small Molecule

Description

Potassium gluconate is a salt of and is classified as a food additive by the FDA . It is also used as a potassium supplement . Potassium is an essential nutrient. It is the most abundant cation in the intracellular fluid, where it plays a key role in maintaining cell function . In dietary supplements, potassium is often present as potassium chloride, but many other forms—including potassium citrate, phosphate, aspartate, bicarbonate, and **gluconate**—are also used . Potassium gluconate is believed to be more palatable and non-acidifying than potassium chloride (KCl) .

Contaminant Sources

EAFUS Chemicals
FooDB Chemicals
HPV EPA Chemicals
OECD HPV Chemicals
ToxCast & Tox21 Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Gluconsan-K	Kegg
Potassium gluconic acid	Generator
Potassium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid	Generator
D-Gluconate	MeSH
D-Gluconic acid	MeSH
Boron gluconate	MeSH
Gluconate	MeSH
Gluconic acid	MeSH
Gluconic acid, (113)indium-labeled	MeSH
Gluconic acid, (14)C-labeled	MeSH
Gluconic acid, (159)dysprosium-labeled salt	MeSH
Gluconic acid, (99)technecium (5+) salt	MeSH
Gluconic acid, 1-(14)C-labeled	MeSH
Gluconic acid, 6-(14)C-labeled	MeSH
Gluconic acid, fe(+2) salt, dihydrate	MeSH
Gluconic acid, aluminum (3:1) salt	MeSH
Gluconic acid, ammonium salt	MeSH
Gluconic acid, calcium salt	MeSH
Gluconic acid, cesium(+3) salt	MeSH
Gluconic acid, cobalt (2:1) salt	MeSH
Gluconic acid, copper salt	MeSH
Gluconic acid, lanthanum(+3) salt	MeSH
Gluconic acid, magnesium (2:1) salt	MeSH
Gluconic acid, manganese (2:1) salt	MeSH
Gluconic acid, monolithium salt	MeSH
Gluconic acid, monopotassium salt	MeSH
Gluconic acid, monosodium salt	MeSH
Gluconic acid, potassium salt	MeSH
Gluconic acid, sodium salt	MeSH
Gluconic acid, strontium (2:1) salt	MeSH
Gluconic acid, tin(+2) salt	MeSH
Gluconic acid, zinc salt	MeSH
Lithium gluconate	MeSH
Magnerot	MeSH
Magnesium gluconate	MeSH
Manganese gluconate	MeSH
Sodium gluconate	MeSH
Zinc gluconate	MeSH
Potassium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid	Generator

Chemical Formula

C₆H₁₁KO₇

Average Molecular Mass

234.245 g/mol

Monoisotopic Mass

234.014 g/mol

CAS Registry Number

299-27-4

IUPAC Name

potassium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate

Traditional Name

potassium D-gluconate

SMILES

[K+].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O

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/t2-,3-,4+,5-;/m1./s1

InChI Key

HLCFGWHYROZGBI-JJKGCWMISA-M

Chemical Taxonomy

Description

belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Sugar acids and derivatives

Alternative Parents

Substituents

Gluconic_acid
Medium-chain hydroxy acid
Medium-chain fatty acid
Beta-hydroxy acid
Hydroxy fatty acid
Hydroxy acid
Fatty acyl
Fatty acid
Monosaccharide
Carboxylic acid salt
Secondary alcohol
Carboxylic acid derivative
Carboxylic acid
Organic alkali metal salt
Monocarboxylic acid or derivatives
Polyol
Organic potassium salt
Organic oxide
Hydrocarbon derivative
Organic salt
Carbonyl group
Organic zwitterion
Alcohol
Primary alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	833 g/L	ALOGPS
logP	-1.9	ALOGPS
logP	-3.4	ChemAxon
logS	0.55	ALOGPS
pKa (Strongest Acidic)	3.39	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	141.28 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	49.11 m³·mol⁻¹	ChemAxon
Polarizability	16.62 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0903-9510000000-83ef41451beba02084ae	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-004i-2910000000-c1fef3d082388c59cfd5	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-9700000000-44626e5c5cc5569a9aba	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-06tb-9100000000-36bb3e0e6feb6d81da23	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0kor-9700000000-122b99c02312ebb62a10	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0a4i-9300000000-034b93247d9adef5d466	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4i-9000000000-c1f51fe041b8aa8f0f0a	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

DB13620

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Potassium gluconate

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

9288

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

POTASSIUM GLUCONATE (CHEM007266)

Structure for CHEM007266: POTASSIUM GLUCONATE