115314-14-2

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1 End Use APIs
2 Related Intermediates

Chemistry

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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

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 Formula	C₉H₉NO₆S
Molecular Weight	259.24 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	110
Heavy Atom Count	17
Formal Charge	0
Complexity	383
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