ContaminantDB: ZINC GLUCONATE

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

Record Information

Version

1.0

Creation Date

2016-05-19 02:31:10 UTC

Update Date

2016-11-09 01:13:41 UTC

Accession Number

CHEM007868

Identification

Common Name

ZINC GLUCONATE

Class

Small Molecule

Description

Zinc gluconate is a zinc salt of gluconic acid comprised of two gluconic acid molecules for each zinc cation (2+). Zinc gluconate is a generally recognized as safe (GRAS) substance by FDA . It is available as a trace mineral supplement and over the counter as a lozenge form for a reduced duration of common colds and with decreased symptom severity. Although it has been nasally administered for treating the common cold, this route of administration has been associated with some cases of anosmia , , , . Studies show that zinc may be better absorbed in humans in the gluconate form , , however, results from other studies may vary , . Interestingly, zinc supplementation has become a critical intervention for treating diarrheal episodes in children. Studies suggest that administration of zinc along with new low osmolarity oral rehydration solutions/salts (oral rehydration solution), may reduce both the duration and severity of diarrheal episodes for up to 12 weeks . More information about Zinc (in its natural form) is available at .

Contaminant Sources

EAFUS Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

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

Chemical Formula

C₁₂H₂₂O₁₄Zn

Average Molecular Mass

455.670 g/mol

Monoisotopic Mass

454.030 g/mol

CAS Registry Number

4468-02-4

IUPAC Name

zinc(2+) ion bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)

Traditional Name

zinc(2+) ion bis(D-gluconate)

SMILES

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

InChI Identifier

InChI=1S/2C6H12O7.Zn/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t2*2-,3-,4+,5-;/m11./s1

InChI Key

WHMDKBIGKVEYHS-IYEMJOQQSA-L

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 transition metal salt
Monocarboxylic acid or derivatives
Polyol
Organic oxide
Hydrocarbon derivative
Organic salt
Organic zwitterion
Carbonyl group
Primary alcohol
Alcohol
Aliphatic acyclic compound

Molecular Framework

Not Available

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	40 g/L	ALOGPS
logP	-2	ALOGPS
logP	-3.4	ChemAxon
logS	-1.1	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	10	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

Not Available

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

DB11248

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

Zinc gluconate

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

443445

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

ZINC GLUCONATE (CHEM007868)

Structure for CHEM007868: ZINC GLUCONATE