MAGNESIUM GLUCONATE (CED0002870)

Record Information

Version

1.0

Creation Date

2016-05-19 02:12:46 UTC

Update Date

2026-05-14 19:36:46 UTC

Accession Number

CHEM006355

Identification

Common Name

MAGNESIUM GLUCONATE

Class

Small Molecule

Description

Magnesium gluconate is an organic compound with the formula C12H22MgO14 and an average molecular weight of 414.60 g/mol. MAGNESIUM GLUCONATE belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. In industrial applications, the compound is utilized as a softener, conditioner, flavouring, and nutrient. It is identified as being found in or released from healthcare, pharmaceuticals, and veterinary products specifically within the minerals category. The recorded route of exposure for this substance is oral.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

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

Chemical Formula

C₁₂H₂₂MgO₁₄

Average Molecular Mass

414.599 g/mol

Monoisotopic Mass

414.086 g/mol

CAS Registry Number

3632-91-5

IUPAC Name

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

Traditional Name

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

SMILES

[Mg++].[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.Mg/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

CTUVIUYTHWPELF-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
Secondary alcohol
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Polyol
Organic salt
Hydrocarbon derivative
Alcohol
Organic zwitterion
Organic oxide
Primary alcohol
Carbonyl group
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

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

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	43.2 g/L	ALOGPS
logP	-2	ALOGPS
logP	-3.4	ChemAxon
logS	-0.98	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	Yes	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

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
6873.0	Log mg/kg	[3900:12000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
268	Minerals	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	6-phosphogluconolactonase	Q9GRG6	Trypanosoma brucei	Predicted (SEA)	0.0778492
Click to view 3D structure	3-isopropylmalate dehydrogenase	Q5SIY4	Thermus thermophilus	Predicted (SEA)	0.0778492
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	3.50322
Click to view 3D structure	Ribose-5-phosphate isomerase B	P9WKD7	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	0.311397
Click to view 3D structure	Glucose-6-phosphate isomerase	Q9N1E2	Oryctolagus cuniculus	Predicted (SEA)	1.24559
Click to view 3D structure	Fructose-bisphosphate aldolase, glycosomal	P07752	Trypanosoma brucei brucei	Predicted (SEA)	0.856341
Click to view 3D structure	S-ribosylhomocysteine lyase	P45578	Escherichia coli K-12	Predicted (SEA)	9.10836
Click to view 3D structure	S-ribosylhomocysteine lyase	Q9Z5X1	Vibrio campbellii	Predicted (SEA)	9.10836
Click to view 3D structure	Hemagglutinin-neuraminidase	Q06992	Human parainfluenza virus 1	Predicted (SEA)	2.80257
Click to view 3D structure	Phosphoheptose isomerase	Q93UJ2	Burkholderia pseudomallei (strain K96243)	Predicted (SEA)	2.80257
Click to view 3D structure	Olfactory receptor 51E2	Q9H255	Humans	Predicted (SEA)	11.366
Click to view 3D structure	Neuraminidase	B4URF0	Influenza A virus	Predicted (SEA)	272.939
Click to view 3D structure	Maltase-glucoamylase	O43451	Humans	Predicted (SEA)	109.534
Click to view 3D structure	Excitatory amino acid transporter 3	P43005	Humans	Predicted (SEA)	767.126
Click to view 3D structure	Sucrase-isomaltase, intestinal	P23739	Rattus norvegicus	Predicted (SEA)	37.9126
Click to view 3D structure	Ceramide transfer protein	Q9Y5P4	Humans	Predicted (SEA)	539.573
Click to view 3D structure	Sialidase-2	Q9Y3R4	Humans	Predicted (SEA)	19.9294
Click to view 3D structure	Glutamate transporter homolog	O59010	Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 /NBRC 100139 / OT-3)	Predicted (SEA)	49.6678
Click to view 3D structure	Metabotropic glutamate receptor 8	P47743	Mus musculus	Predicted (SEA)	26.4687
Click to view 3D structure	Lysosomal alpha-glucosidase	Q6P7A9	Rattus norvegicus	Predicted (SEA)	28.4928
Click to view 3D structure	Metabotropic glutamate receptor 8	O00222	Humans	Predicted (SEA)	2764.27
Click to view 3D structure	Sialidase-3	Q9UQ49	Humans	Predicted (SEA)	134.446
Click to view 3D structure	Cholinesterase	P81908	Equus caballus	Predicted (SEA)	6029.42
Click to view 3D structure	Metabotropic glutamate receptor 6	O15303	Humans	Predicted (SEA)	2956.64
Click to view 3D structure	Cytochrome P450 4A4	P10611	Oryctolagus cuniculus	Predicted (SEA)	26.858