1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

potassium;5-hydroxy-2,5-dioxopentanoate

2.1.2 InChI

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

2.1.3 InChI Key

XTCZBVVKDHLWKU-UHFFFAOYSA-M

2.1.4 Canonical SMILES

C(CC(=O)O)C(=O)C(=O)[O-].[K+]

2.2 Other Identifiers

2.2.1 UNII

DY8MMM4Y2H

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 997-43-3

2. Potassium Hydrogen 2-ketoglutarate

3. Potassium;5-hydroxy-2,5-dioxopentanoate

4. 2-ketoglutaric Acid, Monopotassium Salt

5. 58485-42-0

6. Alpha-ketoglutaric Acid Monopotassium Salt

7. Dy8mmm4y2h

8. 2-ketoglutaric Acid Potassium Salt

9. Pentanedioic Acid, 2-oxo-, Monopotassium Salt

10. Potassium Oxoglurate

11. Ketoglutarate Monopotassium Salt

12. Potassium 2-oxoglutarate

13. Mfcd00064195

14. Monopotassium Oxoglurate [who-dd]

15. As-11097

16. Glutaric Acid, 2-oxo-, Potassium Salt

17. K-2440

18. Potassium Hydrogen .alpha.-ketoglutarate

19. Alpha-ketoglutaric Acid Potassium Salt, >=98% (enzymatic)

20. Pentanedioic Acid, 2-oxo-, Potassium Salt (1:1)

2.4 Create Date

2008-06-06

3 Chemical and Physical Properties

Molecular Formula	C₅H₅KO₅
Molecular Weight	184.19 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	183.97740474 g/mol
Monoisotopic Mass	183.97740474 g/mol
Topological Polar Surface Area	94.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	176
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

Potassium Hydrogen 2-Ketoglutarate