ChemSpider 2D Image | 1-O-[(Cyclohexyloxy)carbonyl]-2,3,4,6-tetrakis-O-(2,2-dimethylpropanoyl)-beta-D-glucopyranose | C33H54O12

1-O-[(Cyclohexyloxy)carbonyl]-2,3,4,6-tetrakis-O-(2,2-dimethylpropanoyl)-β-D-glucopyranose

  • Molecular FormulaC33H54O12
  • Average mass642.775 Da
  • Monoisotopic mass642.361511 Da
  • ChemSpider ID9116511
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

1-O-[(Cyclohexyloxy)carbonyl]-2,3,4,6-tetrakis-O-(2,2-dimethylpropanoyl)-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(Cyclohexyloxy)carbonyl]-2,3,4,6-tetrakis-O-(2,2-dimethylpropanoyl)-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(Cyclohexyloxy)carbonyl]-2,3,4,6-tétrakis-O-(2,2-diméthylpropanoyl)-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(cyclohexyloxy)carbonyl]-, tetrakis(2,2-dimethylpropanoate) [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 641.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 260.0±31.5 °C
Index of Refraction: 1.495
Molar Refractivity: 163.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 8.62
ACD/LogD (pH 5.5): 7.57
ACD/BCF (pH 5.5): 336665.28
ACD/KOC (pH 5.5): 314732.78
ACD/LogD (pH 7.4): 7.57
ACD/BCF (pH 7.4): 336665.28
ACD/KOC (pH 7.4): 314732.78
Polar Surface Area: 150 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 560.9±5.0 cm3

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