chempirical

Magnesium citrate nonahydrate

C12H28Mg3O23CAS 153531-96-5613.25 g/mol

Open in Covalent MOL file
OO−OO−OO−HOOO−OO−OO−HOH2OH2OH2OH2OH2OH2OH2OH2OH2OMg2+Mg2+Mg2+
AlcoholCarboxylic acid

Properties

Molecular formula
C12H28Mg3O23
Molar mass
613.25 g/mol
Exact mass
612.0573 Da
logP
-19.07Crippen estimate
Polar surface area
564.7 Ų
H-bond donors / acceptors
2 / 14
Rotatable bonds
10

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
153531-96-5
SMILES
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O.O.O.O.O.O.[Mg+2].[Mg+2].[Mg+2]
InChIKey
IYQJAGXFXWIEJE-UHFFFAOYSA-H
InChI
InChI=1S/2C6H8O7.3Mg.9H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;9*1H2/q;;3*+2;;;;;;;;;/p-6

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Names and synonyms

1 names
  • Tri-magnesium dicitrate nonahydrate

Work with Magnesium citrate nonahydrate

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 Magnesium citrate (3:2)3344-18-1Anhydrous Citric acid77-92-9Free acid Trisodium citrate68-04-2Salt Potassium citrate866-84-2Salt Ammonium ferric citrate1185-57-5Salt Calcium citrate813-94-5Salt Disodium citrate144-33-2Salt Monosodium citrate18996-35-5Salt Piperazine citrate144-29-6Salt Triammonium citrate3458-72-8Salt Aluminium citrate31142-56-0Salt

Similar compounds

Calcium citrate malate142606-53-950 % similar Calcium β-hydroxy-β-methylbutyrate135236-72-537 % similar Magnesium glycinate14783-68-735 % similar Disodium propanedioate hydrate26522-85-035 % similar Sodium succinate hexahydrate6106-21-435 % similar 3-Hydroxybutanoic acid magnesium salt586976-57-033 % similar Magnesium malate869-06-733 % similar Copper(II) trifluoroacetate hydrate123333-88-032 % similar

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

Elsewhere

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