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92051-23-5

Basic Information
CAS No.: 92051-23-5
Name: b-D-Mannopyranose,1,3,4,6-tetraacetate 2-(trifluoromethanesulfonate)
Article Data: 11
Cas Database
Molecular Structure:
Molecular Structure of 92051-23-5 (b-D-Mannopyranose,1,3,4,6-tetraacetate 2-(trifluoromethanesulfonate))
Formula: C15H19F3O12S
Molecular Weight: 480.37
Synonyms: 1,3,4,6-Tetra-O-acetyl-2-(trifluoromethylsulfonyl)-b-D-mannopyranose;1,3,4,6-Tetra-O-acetyl-2-O-trifluoromethanesulfonyl-b-D-mannopyranose;Mannose triflate;1,3,4,6-Tetra-O-acetyl-2-O-trifluoromethanesulfonyl-beta-D-mannopyranose;β-D-Mannopyranose 1,3,4,6-tetra-O-acetate 2-O-trifluoromethanesulfonate;
EINECS: N/A
Density: 1.505 g/cm3
Melting Point: 118-122 °C
Boiling Point: 481.597 °C at 760 mmHg
Flash Point: 245.061 °C
Solubility: Soluble in acetonitrile, DMSO, methanol, acetone, insoluble in water
Appearance: Beige crystal
Hazard Symbols: IrritantXi
Risk Codes: N/A
Safety: 24/25
Transport Information: N/A
PSA: 166.18000
LogP: 1.01650
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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