chempirical

Magnesium citrate

C6H6MgO7CAS 7779-25-1214.41 g/mol

Open in Covalent MOL file
O−OHOO−OOHOMg2+
AlcoholCarboxylic acid

Properties

Molecular formula
C6H6MgO7
Molar mass
214.41 g/mol
Exact mass
213.9964 Da
logP
-1.63Crippen estimate
Polar surface area
132.1 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
7779-25-1
SMILES
[O-]C(=O)CC(O)(CC([O-])=O)C(=O)O.[Mg+2]
InChIKey
ROYPGAQNKYWYDI-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O7.Mg/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, magnesium salt (1:?)
  • Citric acid, magnesium salt
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, magnesium salt

Work with Magnesium citrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)5949-29-1Hydrate Citric acid77-92-9Free acid Trisodium citrate68-04-2Salt Ammonium ferric citrate1185-57-5Salt Potassium citrate866-84-2Salt Calcium citrate813-94-5Salt Disodium citrate144-33-2Salt Monosodium citrate18996-35-5Salt Piperazine citrate144-29-6Salt Clostilbegit50-41-9Salt Iron(III) citrate3522-50-7Salt Magnesium citrate (3:2)3344-18-1Salt

Similar compounds

1-Hydroxy-1-cyclopropanecarboxylic acid17994-25-148 % similar 1-Hydroxy-cyclobutanecarboxylic acid41248-13-945 % similar Magnesium glycinate14783-68-742 % similar Calcium citrate malate142606-53-939 % similar Calcium β-hydroxy-β-methylbutyrate135236-72-539 % similar Quinic acid77-95-238 % similar Sodium 2-phosphono-1,2,4-butanetricarboxylate40372-66-535 % similar 3-Hydroxybutanoic acid magnesium salt586976-57-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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