ChemSpider 2D Image | 1,3,4,6-Tetra-O-acetyl-2-O-[(trifluoromethyl)sulfonyl]-beta-D-erythro-hexopyranose | C15H19F3O12S

1,3,4,6-Tetra-O-acetyl-2-O-[(trifluoromethyl)sulfonyl]-β-D-erythro-hexopyranose

  • Molecular FormulaC15H19F3O12S
  • Average mass480.364 Da
  • Monoisotopic mass480.054932 Da
  • ChemSpider ID71117039

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,3,4,6-Tetra-O-acetyl-2-O-[(trifluormethyl)sulfonyl]-β-D-erythro-hexopyranose [German] [ACD/IUPAC Name]
1,3,4,6-Tetra-O-acetyl-2-O-[(trifluoromethyl)sulfonyl]-β-D-erythro-hexopyranose [ACD/IUPAC Name]
1,3,4,6-Tétra-O-acétyl-2-O-[(trifluorométhyl)sulfonyl]-β-D-érythro-hexopyranose [French] [ACD/IUPAC Name]
β-D-erythro-Hexopyranose, 1,3,4,6-tetraacetate 2-(trifluoromethanesulfonate) [ACD/Index Name]
1,3,4,6-Tetraacetate 2-(trifluoromethane-sulphonate)-b-D-mannopyranose
1,3,4,6-Tetra-O-acetyl-2-O-trifluoromethanesulfonyl-b-D-mannopyranose
92051-23-5 [RN]
Mannose Triflate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 481.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 245.1±28.7 °C
Index of Refraction: 1.472
Molar Refractivity: 89.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.50
ACD/KOC (pH 5.5): 465.92
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.50
ACD/KOC (pH 7.4): 465.92
Polar Surface Area: 166 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 319.2±5.0 cm3

Click to predict properties on the Chemicalize site


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