ChemFOnt: Showing chemical card for Magnesium oxalate (CFc000282430)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 03:34:47 UTC

Chemfont ID

CFc000282430

Molecule Identification

Common Name

Magnesium oxalate

Definition

Magnesium oxalate, also known as magnesium oxalic acid or dipotassium oxalate, belongs to dicarboxylic acids and derivatives class of compounds. Those are organic compounds containing exactly two carboxylic acid groups. Magnesium oxalate is soluble (in water) and a moderately acidic compound (based on its pKa). Magnesium oxalate can be found in garden rhubarb, which makes magnesium oxalate a potential biomarker for the consumption of this food product. Magnesium oxalate is an inorganic compound comprising a magnesium cation with a 2+ charge bonded to an oxalate anion. It has the chemical formula MgC2O4. Magnesium oxalate is a white solid that comes in two forms: an anhydrous form and a dihydrate form where two water molecules are complexed with the structure. Both forms are practically insoluble in water and are insoluble in organic solutions .

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Magnesium(2+) ion oxalic acid	Generator
Iron (2+) oxalate (1:1)	MeSH
Monoammonium oxalate	MeSH
Oxalate, aluminum	MeSH
Oxalate, monoammonium	MeSH
Dilithium oxalate	MeSH
Magnesium oxalate	MeSH
Monosodium oxalate	MeSH
Oxalate, diammonium	MeSH
Oxalate, disodium	MeSH
Oxalate, monosodium	MeSH
Oxalic acid	MeSH
Dipotassium oxalate	MeSH
Monopotassium oxalate	MeSH
Oxalate, potassium	MeSH
Potassium chromium oxalate	MeSH
Aluminum oxalate	MeSH
Chromium (2+) oxalate	MeSH
Iron (3+) oxalate	MeSH
Magnesium oxalate (1:1)	MeSH
Monohydrogen monopotassium oxalate	MeSH
Oxalate, chromium	MeSH
Oxalate, dilithium	MeSH
Acid, oxalic	MeSH
Chromium oxalate	MeSH
Manganese (2+) oxalate (1:1)	MeSH
Oxalate, dipotassium	MeSH
Chromium (3+) oxalate (3:2)	MeSH
Iron oxalate	MeSH
Diammonium oxalate	MeSH
Disodium oxalate	MeSH
Oxalate, ferric	MeSH
Potassium oxalate	MeSH
Ammonium oxalate	MeSH
Ferric oxalate	MeSH
Oxalate, iron	MeSH
Oxalate, magnesium	MeSH
Oxalate, monohydrogen monopotassium	MeSH
Oxalate, monopotassium	MeSH
Oxalate, potassium chromium	MeSH
Oxalate, sodium	MeSH
Potassium oxalate (2:1)	MeSH
Sodium oxalate	MeSH
Magnesium oxalic acid	Generator

Chemical Formula

C₂MgO₄

Average Molecular Weight

112.323

Monoisotopic Molecular Weight

111.96470018

IUPAC Name

magnesium(2+) ion oxalate

Traditional Name

magnesium(2+) ion oxalate

CAS Registry Number

None

SMILES

[Mg++].[O-]C(=O)C([O-])=O

InChI Identifier

InChI=1S/C2H2O4.Mg/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2

InChI Key

UHNWOJJPXCYKCG-UHFFFAOYSA-L

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Dicarboxylic acids and derivatives

Direct Parent

Dicarboxylic acids and derivatives

Alternative Parents

Substituents

Dicarboxylic acid or derivatives
Carboxylic acid salt
Carboxylic acid
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organic salt
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Exogenous (HMDB: HMDB0302914)

Food

Vegetable

Stalk vegetable

Garden rhubarb (FooDB: FOOD00154)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	12.5 g/L	ALOGPS
logP	0.33	ALOGPS
logP	-0.26	ChemAxon
logS	-1.1	ALOGPS
pKa (Strongest Acidic)	1.36	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	80.26 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	36.11 m³·mol⁻¹	ChemAxon
Polarizability	5.46 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

External Links

HMDB ID

HMDB0302914

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB006864

KNApSAcK ID

Not Available

Chemspider ID

61648

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for Magnesium oxalate (CFc000282430)

MOL for CFc000282430 (Magnesium oxalate)

3D MOL for CFc000282430 (Magnesium oxalate)

3D SDF for CFc000282430 (Magnesium oxalate)

3D-SDF for CFc000282430 (Magnesium oxalate)

PDB for CFc000282430 (Magnesium oxalate)

3D PDB for CFc000282430 (Magnesium oxalate)

SMILES for CFc000282430 (Magnesium oxalate)

INCHI for CFc000282430 (Magnesium oxalate)

Structure for CFc000282430 (Magnesium oxalate)

3D Structure for CFc000282430 (Magnesium oxalate)