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Also known as: 115314-14-2, (s)-glycidyl nosylate, (s)-oxiran-2-ylmethyl 3-nitrobenzenesulfonate, (s)-(+)-glycidyl nosylate, (s)-(+)-glycidyl 3-nitrobenzenesulfonate, [(2s)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate
Molecular Formula
C9H9NO6S
Molecular Weight
259.24  g/mol
InChI Key
AIHIHVZYAAMDPM-QMMMGPOBSA-N
FDA UNII
TH53HZU4D9

115314-14-2
1 2D Structure

115314-14-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(2S)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate
2.1.2 InChI
InChI=1S/C9H9NO6S/c11-10(12)7-2-1-3-9(4-7)17(13,14)16-6-8-5-15-8/h1-4,8H,5-6H2/t8-/m0/s1
2.1.3 InChI Key
AIHIHVZYAAMDPM-QMMMGPOBSA-N
2.1.4 Canonical SMILES
C1C(O1)COS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]
2.1.5 Isomeric SMILES
C1[C@H](O1)COS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]
2.2 Other Identifiers
2.2.1 UNII
TH53HZU4D9
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Glycidyl 3-nbs

2. Glycidyl 3-nitrobenzenesulfonate

2.3.2 Depositor-Supplied Synonyms

1. 115314-14-2

2. (s)-glycidyl Nosylate

3. (s)-oxiran-2-ylmethyl 3-nitrobenzenesulfonate

4. (s)-(+)-glycidyl Nosylate

5. (s)-(+)-glycidyl 3-nitrobenzenesulfonate

6. [(2s)-oxiran-2-yl]methyl 3-nitrobenzenesulfonate

7. Glycidyl 3-nitrobenzenesulfonate

8. Mfcd00064582

9. (2s)-glycidyl-3-nitrobenzenesulfonate

10. Th53hzu4d9

11. Glycidyl (s)-(+)-3-nitrobenzenesulfonate

12. (2s)-(+)-glycidyl 3-nitrobenzenesulfonate

13. Benzenesulfonic Acid, 3-nitro-, (2s)-oxiranylmethyl Ester

14. (2s)-oxiran-2-ylmethyl 3-nitrobenzenesulfonate

15. (s)-glycidyl-3-nitrobenzene-sulfonate

16. [(2s)-oxiran-2-yl]methyl 3-nitrobenzene-1-sulfonate

17. Ccris 6394

18. (2s)-(+)-glycidyl-3-nitrobenzenesulfonate

19. ((2s)-oxiran-2-yl)methyl 3-nitrobenzenesulfonate

20. Brn 4704456

21. Oxiranylmethyl (s)-3-nitrobenzenesulfonate

22. (s)-glycidol 3-nitrobenzenesulfonate

23. (2s)-oxiranylmethyl 3-nitrobenzenesulfonate

24. Unii-th53hzu4d9

25. Schembl336605

26. Aihihvzyaamdpm-qmmmgpobsa-

27. Dtxsid00151046

28. Aihihvzyaamdpm-qmmmgpobsa-n

29. Benzenesulfonic Acid, 3-nitro-, Oxiranylmethyl Ester, (s)-

30. Bcp04669

31. (s)-glycidyl M-nitrobenzenesulfonate

32. Bbl102368

33. Stl556169

34. (s)-glycidyl 3-nitrobenzene Sulfonate

35. (s)-glycidyl-3-nitrobenzenesulphonate

36. Akos016842413

37. Cs-w002298

38. Ac-18291

39. As-33338

40. (2s)-(+)glycidyl 3-nitrobenzenesulfonate

41. 2(s)-oxiranylmethyl 3-nitrobenzenesulfonate

42. (2s)-(+)-glycidyl 3-nitrobenzene Sulfonate

43. (2s)-oxiran-2ylmethyl3-nitrobenzenesulfonate

44. G0287

45. (2s)-2-oxiranylmethyl 3-nitrobenzenesulfonate

46. (2s)-oxiran-2-ylmethyl3-nitrobenzenesulfonate

47. (s)-oxiran-2-ylmethyl3-nitrobenzenesulfonate

48. (2s)-oxiran 2-ylmethyl-3-nitrobenzenesulfonate

49. (2s)-oxiran-2-ylmethyl-3-nitrobenzenesulfonate

50. 3-nitrobenzenesulfonic Acid (s)-glycidyl Ester

51. (2s)-oxiran-2-y-methyl 3-nitrobenzenesulfonate

52. (2s)-oxirane-2-ylmethyl 3-nitrobenzenesulfonate

53. (s)-(oxiran-2-yl)methyl 3-nitrobenzenesulfonate

54. En300-6731574

55. (s)-(+)-3-nitrobenzenesulfonic Acid Glycidyl Ester

56. J-502515

57. 3-nitro-benzenesulfonic Acid (s)-oxiranylmethyl Ester

58. 3-nitrobenzenesulfonic Acid (s)-1-oxiranylmethyl Ester

59. Z2941217406

60. (s)-(+)-3-nitro-benzenesulfonic Acid Oxiranylmethyl Ester

61. (s)-(+)-glycidyl 3-nitrobenzenesulfonate, >=99.0% (gc)

62. Benzenesulfonic Acid, 3-nitro-, (2s)-2-oxiranylmethyl Ester

63. Inchi=1/c9h9no6s/c11-10(12)7-2-1-3-9(4-7)17(13,14)16-6-8-5-15-8/h1-4,8h,5-6h2/t8-/m0/s1

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 259.24 g/mol
Molecular Formula C9H9NO6S
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area110
Heavy Atom Count17
Formal Charge0
Complexity383
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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