Calcium 2-oxoglutarate

C5H4CaO5CAS 71686-01-6184.16 g/mol

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

Properties

Molecular formula
C5H4CaO5
Molar mass
184.16 g/mol
Exact mass
183.9685 Da
logP
-0.88Crippen estimate
Polar surface area
91.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

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
71686-01-6
SMILES
[O-]C(=O)CCC(=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

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

Work with Calcium 2-oxoglutarate

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.

α-Ketoglutaric acid328-50-7Free acid Disodium α-ketoglutarate305-72-6Salt Ornithine α-ketoglutarate (1:1)5191-97-9Salt Di-L(+)-ornithine-α-oxoglutarate5144-42-3Salt Diarginine α-ketoglutarate5256-76-8Salt Potassium hydrogen α-ketoglutarate997-43-3Salt Arginine α-oxoglutarate16856-18-1Salt

Similar compounds

Calcium α-ketoisocaproate51828-95-652 % similar Calcium levulinate591-64-050 % similar Calcium butyrate5743-36-248 % similar Disodium succinate150-90-346 % similar Calcium oxalate (1:1)563-72-446 % similar Phenylpyroracemic acid calcium salt51828-93-443 % similar Calcium stearate1592-23-042 % similar Calcium glycinate35947-07-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook