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1,3,4,6-Tetra-O-acetyl-2-O-trifluoromethanesulfonyl-beta-D-mannopyranose

  • Name 1,3,4,6-Tetra-O-acetyl-2-O-trifluoromethanesulfonyl-beta-D-mannopyranose
  • EINECSN/A
  • CAS No. 92051-23-5
  • Density1.505 g/cm3
  • PSA166.18000
  • LogP1.01650
  • SolubilitySoluble in acetonitrile, DMSO, methanol, acetone, insoluble in water
  • Melting Point118-122 °C
  • FormulaC15H19F3O12S
  • Boiling Point481.597 °C at 760 mmHg
  • Molecular Weight480.37
  • Flash Point245.061 °C
  • Transport InformationN/A
  • AppearanceBeige crystal
  • Safety24/25
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 92051-23-5 (TATM)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data11

1,3,4,6-Tetra-O-acetyl-2-O-trifluoromethanesulfonyl-beta-D-mannopyranose Specification

The b-D-Mannopyranose,1,3,4,6-tetraacetate 2-(trifluoromethanesulfonate) with CAS registry number of 92051-23-5 is also known as 1,3,4,6-Tetra-O-acetyl-2-(trifluoromethylsulfonyl)-b-D-mannopyranose. The IUPAC name is [3,4,6-Triacetyloxy-5-(trifluoromethylsulfonyloxy)oxan-2-yl]methyl acetate. It belongs to product categories of Chiral; FDG Chemicals; Biochemistry; O-Substituted Sugars; Sugars; Carbohydrates & Derivatives; Intermediates & Fine Chemicals; Labeling and Diagnostics Reagents; Pharmaceuticals. Its EINECS registry number is . In addition, the formula is C15H19F3O12S and the molecular weight is 480.36. What's more, it is a beige crystal and should be sealed in dry place at the temperature of -20 °C with protection of inert gas away from oxidants and air. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about b-D-Mannopyranose,1,3,4,6-tetraacetate 2-(trifluoromethanesulfonate) are: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 32; (6)ACD/BCF (pH 7.4): 32; (7)ACD/KOC (pH 5.5): 420; (8)ACD/KOC (pH 7.4): 420; (9)#H bond acceptors: 12; (10)#Freely Rotating Bonds: 11; (11)Index of Refraction: 1.472; (12)Molar Refractivity: 89.442 cm3; (13)Molar Volume: 319.228 cm3; (14)Surface Tension: 47.318 dyne/cm; (15)Density: 1.505 g/cm3; (16)Flash Point: 245.061 °C; (17)Enthalpy of Vaporization: 74.633 kJ/mol; (18)Boiling Point: 481.597 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
1. 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. 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
3. InChIKey: OIBDVHSTOUGZTJ-UHFFFAOYSA-N

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