Calcium 2-oxoglutarate

C₅H₄CaO₅CAS 71686-01-6184.16 g/mol

Open in Covalent MOL file

Carboxylic acid Ketone

Properties

Molecular formula: C₅H₄CaO₅
Molar mass: 184.16 g/mol
Exact mass: 183.9685 Da
logP: -0.88Crippen estimate
Polar surface area: 91.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Identifiers

CAS number

71686-01-6

SMILES

[O-]C(=O)CCC(=O)C([O-])=O.[Ca+2]

InChIKey

TWPAUQVDOXJGMP-UHFFFAOYSA-N

InChI

InChI=1S/C5H6O5.Ca/c6-3(5(9)10)1-2-4(7)8;/h1-2H2,(H,7,8)(H,9,10);

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

Similar compounds

Disodium α-ketoglutarate305-72-677 % similar 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 Potassium hydrogen α-ketoglutarate997-43-345 % similar Phenylpyroracemic acid calcium salt51828-93-443 % similar

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

Elsewhere

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