Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 92051-23-5, Tatm, 1,3,4,6-tetra-o-acetyl-2-o-(trifluoromethanesulfonyl)-beta-d-mannopyranose, 1,3,4,6-tetra-o-acetyl-2-o-trifluoromethanesulfonyl-beta-d-mannopyranose, 0ki8ffq6tt, 1,3,4,6-tetra-o-acetyl-2-o-trifluoromethanesulfonyl-b-d-mannopyranose
Molecular Formula
C15H19F3O12S
Molecular Weight
480.4  g/mol
InChI Key
OIBDVHSTOUGZTJ-PEBLQZBPSA-N
FDA UNII
0KI8FFQ6TT

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(2R,3R,4S,5S,6S)-3,4,6-triacetyloxy-5-(trifluoromethylsulfonyloxy)oxan-2-yl]methyl acetate
2.1.2 InChI
InChI=1S/C15H19F3O12S/c1-6(19)25-5-10-11(26-7(2)20)12(27-8(3)21)13(14(29-10)28-9(4)22)30-31(23,24)15(16,17)18/h10-14H,5H2,1-4H3/t10-,11-,12+,13+,14-/m1/s1
2.1.3 InChI Key
OIBDVHSTOUGZTJ-PEBLQZBPSA-N
2.1.4 Canonical SMILES
CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OS(=O)(=O)C(F)(F)F)OC(=O)C)OC(=O)C
2.1.5 Isomeric SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC(=O)C)OS(=O)(=O)C(F)(F)F)OC(=O)C)OC(=O)C
2.2 Other Identifiers
2.2.1 UNII
0KI8FFQ6TT
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 92051-23-5

2. Tatm

3. 1,3,4,6-tetra-o-acetyl-2-o-(trifluoromethanesulfonyl)-beta-d-mannopyranose

4. 1,3,4,6-tetra-o-acetyl-2-o-trifluoromethanesulfonyl-beta-d-mannopyranose

5. 0ki8ffq6tt

6. 1,3,4,6-tetra-o-acetyl-2-o-trifluoromethanesulfonyl-b-d-mannopyranose

7. Beta-d-mannopyranose 1,3,4,6-tetra-o-acetate 2-o-trifluoromethanesulfonate

8. [(2r,3r,4s,5s,6s)-3,4,6-triacetyloxy-5-(trifluoromethylsulfonyloxy)oxan-2-yl]methyl Acetate

9. 1,3,4,6-tetra-o-acetyl-2-o-trifluoro-methanesulfonyl-beta-d-mannopyranose

10. (2s,3s,4s,5r,6r)-6-(acetoxymethyl)-3-(((trifluoromethyl)sulfonyl)oxy)tetrahydro-2h-pyran-2,4,5-triyl Triacetate

11. Unii-0ki8ffq6tt

12. Mfcd00012353

13. Schembl543667

14. Dtxsid00238841

15. 1,3,4,6-tetra-o-acetyl-2-(trifluoromethylsulfonyl)betad-mannopyranose

16. 1,3,4,6-tetra-o-acetyl-2-o-trifluoromethylsulfonyl-b-d-mannopyranose

17. Zinc59230585

18. 1,3,4,6-tetra-o-acetyl-2-o-trifluoromethanesulfonylbetad-mannopyranose

19. Akos016010527

20. Akos024418732

21. Beta-d-mannopyranose, 1,3,4,6-tetraacetate 2-(trifluoromethanesulfonate)

22. As-15940

23. Cs-0017907

24. T2307

25. 051t235

26. Mannose Triflate, For Pet Imaging, >=98% (tlc)

27. W-204068

28. Q27236900

29. 1,3,4,6-tetra-o-acetyl-2-o-trifluormethanesulfonyl-beta-d-mannopyranose

30. 1,3,4,6-tetra-o-acetyl-2-o-trifluoromethanesulfonyl-?-d-mannopyranose

31. 1,3,4,6-tetraacetate-2-(trifluoromethane-sulphonate)-beta-d-mannopyranose

32. B-d-mannopyranose, 1,3,4,6-tetraacetate 2-(trifluoromethanesulfonate)

33. B-d-mannopyranose,1,3,4,6-tetraacetate 2-(trifluoromethanesulfonate)

34. .beta.-d-mannopyranose 1,3,4,6-tetra-o-acetate 2-o-trifluoromethanesulfonate

35. .beta.-d-mannopyranose, 1,3,4,6-tetraacetate 2-(trifluoromethanesulfonate)

36. 1,3,4,6-tetra-o-acetyl-2-(trifluoromethylsulfonyl)-.beta.-d-mannopyranose

37. 1,3,4,6-tetra-o-acetyl-2-o-trifluoromethanesulfonyl-.beta.-d-mannopyranose

38. Beta-d-mannopyranose 1,3,4,6-tetra-o-acetate 2-o-trifluoromethanesulfonate, 98%

39. Tetra-o-acetyl-mannose Triflate, European Pharmacopoeia (ep) Reference Standard

40. (2s,3s,4s,5r,6r)-6-(acetoxymethyl)-3-(((trifluoromethyl)sulfonyl)oxy)tetrahydro-2h-pyran-2,4,5-triyltriacetate

41. (2s,3s,4s,5r,6r)-6-(acetoxymethyl)-3-(trifluoromethylsulfonyloxy)tetrahydro-2h-pyran-2,4,5-triyl Triacetate

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 480.4 g/mol
Molecular Formula C15H19F3O12S
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count15
Rotatable Bond Count11
Exact Mass480.05493170 g/mol
Monoisotopic Mass480.05493170 g/mol
Topological Polar Surface Area166 Ų
Heavy Atom Count31
Formal Charge0
Complexity803
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1