ChemSpider 2D Image | β-D-Fructopyranose, 1-sulfamate | C6H13NO8S

β-D-Fructopyranose, 1-sulfamate

  • Molecular FormulaC6H13NO8S
  • Average mass259.234 Da
  • Monoisotopic mass259.036194 Da
  • ChemSpider ID48063823

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

106881-42-9 [RN]
1-O-Sulfamoyl-β-D-fructopyranose [German] [ACD/IUPAC Name]
1-O-Sulfamoyl-β-D-fructopyranose [ACD/IUPAC Name]
1-O-Sulfamoyl-β-D-fructopyranose [French] [ACD/IUPAC Name]
β-D-Fructopyranose, 1-sulfamate
β-D-Fructopyranose, 1-O-(aminosulfonyl)- [ACD/Index Name]
[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl sulfamate
β-D-Fructopyranose 1-Sulfamate
β-D-Fructopyranose 1-Sulfamate

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

Density: 1.9±0.1 g/cm3
Boiling Point: 518.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.0±6.0 kJ/mol
Flash Point: 267.4±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 49.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.36
ACD/LogD (pH 7.4): -1.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.31
Polar Surface Area: 168 Å2
Polarizability: 19.7±0.5 10-24cm3
Surface Tension: 102.1±3.0 dyne/cm
Molar Volume: 136.0±3.0 cm3

Click to predict properties on the Chemicalize site


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