chempirical

Calcium citrate

C6H6CaO7CAS 813-94-5230.18 g/mol

Open in Covalent MOL file
O−OHOO−OOHOCa2+
AlcoholCarboxylic acid

Properties

Molecular formula
C6H6CaO7
Molar mass
230.18 g/mol
Exact mass
229.9739 Da
logP
-1.63Crippen estimate
Polar surface area
132.1 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
5

Identifiers

CAS number
813-94-5
SMILES
[O-]C(=O)CC(O)(CC([O-])=O)C(=O)O.[Ca+2]
InChIKey
QXDHJHQRJCJRAU-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O7.Ca/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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Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, calcium salt (2:3)
  • Citric acid, calcium salt (2:3)
  • Calcium citrate (Ca3(O7C6H5)2)
  • Tricalcium citrate
  • Tribasic calcium citrate
  • Acicontral
  • Citrical
  • Tricalcium dicitrate
  • Citracal

Work with Calcium 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

Similar compounds

Calcium citrate tetrahydrate5785-44-490 % similar Copper citrate10402-15-079 % similar Magnesium hydrogen citrate144-23-079 % similar Disodium citrate144-33-279 % similar Magnesium citrate (3:2)3344-18-179 % similar Zinc citrate546-46-379 % similar Magnesium citrate7779-25-179 % 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

Elsewhere

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