1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

potassium;(4S)-4-amino-5-hydroxy-5-oxopentanoate;hydrate

2.1.2 InChI

InChI=1S/C5H9NO4.K.H2O/c6-3(5(9)10)1-2-4(7)8;;/h3H,1-2,6H2,(H,7,8)(H,9,10);;1H2/q;+1;/p-1/t3-;;/m0../s1

2.1.3 InChI Key

XIBUKSQTWSKJMQ-QTNFYWBSSA-M

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6382-01-0

2. L-glutamic Acid Potassium Salt Monohydrate

3. Monopotassium Glutamate Monohydrate

4. L-glutamic Acid, Monopotassium Salt, Monohydrate

5. Potassium;(4s)-4-amino-5-hydroxy-5-oxopentanoate;hydrate

6. B5zc7fho6o

7. Ccris 4213

8. Unii-b5zc7fho6o

9. Glutamic Acid, Monopotassium Salt, Monohydrate

10. Glutamic Acid, Monopotassium Salt, Monohydrate, L-

11. Mfcd00150343

12. Schembl16756237

13. Dtxsid70980401

14. Hy-w141949

15. Cs-0201739

16. L-glutamic Acid,potassium Salt,hydrate(1:1:1)

17. Potassium 5-oxido-5-oxonorvaline--water (1/1/1)

18. L-glutamic Acid Potassium Salt Monohydrate, >=99% (hplc), Powder

19. L-glutamic Acid Monopotassium Salt Monohydrate, Puriss. P.a., >=99.0%

20. L-glutamic Acid Potassium Salt Monohydrate, Bioreagent, Suitable For Insect Cell Culture, >=99% (hplc)

2.3 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₅H₁₀KNO₅
Molecular Weight	203.23 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	203.01960390 g/mol
Monoisotopic Mass	203.01960390 g/mol
Topological Polar Surface Area	104 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	149
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

Monopotassium Glutamate Monohydrate