Calcium citrate

C12H10Ca3O14CAS 813-94-5498.43 g/mol

Open in Covalent MOL file
O−OOHO−OO−OO−OOHO−OO−OCa2+Ca2+Ca2+
AlcoholCarboxylic acid

Properties

Molecular formula
C12H10Ca3O14
Molar mass
498.43 g/mol
Exact mass
497.8948 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.

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Identifiers

CAS number
813-94-5
SMILES
[O-]C(=O)CC(O)(CC([O-])=O)C([O-])=O.[O-]C(=O)CC(O)(CC([O-])=O)C([O-])=O.[Ca+2].[Ca+2].[Ca+2]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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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

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 Calcium citrate tetrahydrate5785-44-4Hydrate Citric acid77-92-9Free acid Trisodium citrate68-04-2Salt Potassium citrate866-84-2Salt Ammonium ferric citrate1185-57-5Salt Disodium citrate144-33-2Salt Monosodium citrate18996-35-5Salt Piperazine citrate144-29-6Salt Triammonium citrate3458-72-8Salt Aluminium citrate31142-56-0Salt Clostilbegit50-41-9Salt

Similar compounds

Calcium citrate malate142606-53-966 % similar Calcium β-hydroxy-β-methylbutyrate135236-72-553 % similar Calcium glycinate35947-07-039 % similar Calcium propanoate4075-81-439 % similar Calcium thioglycolate814-71-139 % similar Calcium butyrate5743-36-236 % similar Calcium malate17482-42-735 % similar Calcium levulinate591-64-034 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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