D valine

Synopsis, 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

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 Formula	C₅H₁₁NO₂
Molecular Weight	117.15 g/mol
XLogP3	-2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	117.078978594 g/mol
Monoisotopic Mass	117.078978594 g/mol
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	90.4
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	1