chempirical

Calcium pyruvate

C6H6CaO6CAS 52009-14-0214.19 g/mol

Open in Covalent MOL file
OO−OOO−OCa2+
Carboxylic acidKetone

Properties

Molecular formula
C6H6CaO6
Molar mass
214.19 g/mol
Exact mass
213.9790 Da
logP
-0.72Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

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
52009-14-0
SMILES
CC(=O)C([O-])=O.CC(=O)C([O-])=O.[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.

Weigh it out

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

Names and synonyms

2 names
  • Propanoic acid, 2-oxo-, calcium salt (2:1)
  • Propanoic acid, 2-oxo-, calcium salt

Work with Calcium pyruvate

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.

Pyruvic acid127-17-3Free acid Sodium pyruvate113-24-6Salt Potassium pyruvate4151-33-1Salt Lithium pyruvate2922-61-4Salt Magnesium pyruvate81686-75-1Salt Creatine pyruvate55965-97-4Salt

Similar compounds

Calcium oxalate (1:1)563-72-458 % similar Calcium oxalate monohydrate5794-28-550 % similar α-Ketovaline calcium salt51828-94-544 % similar Calcium acetate62-54-443 % similar Diacetyl431-03-842 % similar Calcium α-ketoisocaproate51828-95-640 % similar Calcium acetate monohydrate5743-26-038 % similar Pentanoic acid, 3-methyl-2-oxo-, calcium salt (2:1), (3S)-51828-96-738 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook