chempirical

Magnesium citrate (3:2)

C6H6MgO7CAS 3344-18-1214.41 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

Identifiers

CAS number
3344-18-1
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);

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Names and synonyms

6 names
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, magnesium salt (2:3)
  • Citric acid, magnesium salt (2:3)
  • Magnesium citrate
  • Hexaaquomagnesium bis[(citrato)aquomagnesate]
  • Trimagnesium dicitrate
  • Citramag

Work with Magnesium citrate (3:2)

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

Similar compounds

Copper citrate10402-15-079 % similar Disodium citrate144-33-279 % similar Zinc citrate546-46-379 % similar Calcium citrate813-94-579 % similar Monosodium citrate18996-35-573 % similar Potassium citrate7778-49-673 % similar Calcium citrate tetrahydrate5785-44-472 % similar Sodium 1,2,3-propanetricarboxylate hydrate (4:2:3)6132-05-472 % similar

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

Same formula

Magnesium hydrogen citrate144-23-0 Magnesium citrate7779-25-1

Elsewhere

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