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Chemistry

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Also known as: 640-68-6, H-d-val-oh, (r)-valine, Valine, d-, (2r)-2-amino-3-methylbutanoic acid, D-2-amino-3-methylbutanoic acid
Molecular Formula
C5H11NO2
Molecular Weight
117.15  g/mol
InChI Key
KZSNJWFQEVHDMF-SCSAIBSYSA-N
FDA UNII
Y14I1443UR

D-Valine
1 2D Structure

D-Valine

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R)-2-amino-3-methylbutanoic acid
2.1.2 InChI
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1
2.1.3 InChI Key
KZSNJWFQEVHDMF-SCSAIBSYSA-N
2.1.4 Canonical SMILES
CC(C)C(C(=O)O)N
2.1.5 Isomeric SMILES
CC(C)[C@H](C(=O)O)N
2.2 Other Identifiers
2.2.1 UNII
Y14I1443UR
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 640-68-6

2. H-d-val-oh

3. (r)-valine

4. Valine, D-

5. (2r)-2-amino-3-methylbutanoic Acid

6. D-2-amino-3-methylbutanoic Acid

7. D-valin

8. (r)-2-amino-3-methylbutanoic Acid

9. Nsc 20654

10. D-val

11. D-2-aminoisovaleric Acid

12. Chembl1232398

13. Chebi:27477

14. Y14i1443ur

15. (r)-2-amino-3-methylbutyric Acid

16. Ncgc00159470-02

17. (2r)-2-ammonio-3-methylbutanoate

18. Dva

19. Mfcd00064219

20. Einecs 211-368-9

21. 2-amino-3-methyl-butyric Acid

22. Unii-y14i1443ur

23. D Valine

24. Nsc-20654

25. R-valine

26. D-valine, >=98%

27. Dsstox_cid_26064

28. Dsstox_rid_81315

29. D-(-)-valine

30. Dsstox_gsid_46064

31. Schembl43678

32. (r)-alpha-aminoisovaleric Acid

33. Valine, (-)-

34. Dtxsid0046064

35. Hy-n0717a

36. Zinc896156

37. Act04818

38. Bcp10545

39. Tox21_111694

40. Ac7511

41. Bdbm50357216

42. Akos006240045

43. Akos015841471

44. Am82362

45. Ac-24061

46. As-14130

47. Cas-640-68-6

48. D-valine, Vetec(tm) Reagent Grade, 98%

49. Cs-0010218

50. V0012

51. En300-54608

52. 40v686

53. C06417

54. D-valine, Suitable For Cell Culture, Bioreagent

55. A847288

56. J-300291

57. Q27103152

58. 9040e22a-ffb5-4a57-a5dc-9f7b09e64f07

59. F1905-7038

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 117.15 g/mol
Molecular Formula C5H11NO2
XLogP3-2.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass117.078978594 g/mol
Monoisotopic Mass117.078978594 g/mol
Topological Polar Surface Area63.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity90.4
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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15-Feb-2021
29-Feb-2024
KGS
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