chempirical

Disodium α-ketoglutarate

C5H4Na2O5CAS 305-72-6190.06 g/mol

Open in Covalent MOL file
O−OOO−ONa+Na+
Carboxylic acidKetone

Properties

Molecular formula
C5H4Na2O5
Molar mass
190.06 g/mol
Exact mass
189.9854 Da
logP
-1.26Crippen estimate
Polar surface area
91.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Identifiers

CAS number
305-72-6
SMILES
[O-]C(=O)CCC(=O)C([O-])=O.[Na+].[Na+]
InChIKey
KAKVUJUFLAFRKG-UHFFFAOYSA-N
InChI
InChI=1S/C5H6O5.2Na/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

9 names
  • Pentanedioic acid, 2-oxo-, sodium salt (1:2)
  • Glutaric acid, 2-oxo-, disodium salt
  • Pentanedioic acid, 2-oxo-, disodium salt
  • Disodium 2-oxoglutarate
  • 2-Oxoglutaric acid disodium salt
  • α-Oxoglutaric acid disodium salt
  • Disodium 2-oxopentanedioate
  • α-Ketoglutaric acid disodium salt
  • α-Ketoglutarate disodium

Work with Disodium α-ketoglutarate

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 2-oxoglutarate71686-01-677 % similar Disodium succinate150-90-365 % similar Sodium succinate hexahydrate6106-21-458 % similar Disodium sebacate17265-14-452 % similar Sodium 2-oxobutyrate2013-26-552 % similar Sodium α-ketoisocaproate4502-00-552 % similar Sodium levulinate19856-23-650 % similar Sodium butyrate156-54-748 % similar

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

Elsewhere

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