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

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
305-72-6
SMILES
[O-]C(=O)CCC(=O)C([O-])=O.[Na+].[Na+]
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
  • 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

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 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 Calcium 2-oxoglutarate71686-01-6Salt Arginine α-oxoglutarate16856-18-1Salt

Similar compounds

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 Sodium glycolate2836-32-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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