ChemSpider 2D Image | 4,6-O-Benzylidene-1,2,3-tris-O-(2,2-dimethylpropanoyl)-beta-D-glucopyranose | C28H40O9

4,6-O-Benzylidene-1,2,3-tris-O-(2,2-dimethylpropanoyl)-β-D-glucopyranose

  • Molecular FormulaC28H40O9
  • Average mass520.612 Da
  • Monoisotopic mass520.267212 Da
  • ChemSpider ID34998101

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

174465-15-7 [RN]
4,6-O-Benzyliden-1,2,3-tris-O-(2,2-dimethylpropanoyl)-β-D-glucopyranose [German] [ACD/IUPAC Name]
4,6-O-Benzylidene-1,2,3-tris-O-(2,2-dimethylpropanoyl)-β-D-glucopyranose [ACD/IUPAC Name]
4,6-O-Benzylidène-1,2,3-tris-O-(2,2-diméthylpropanoyl)-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 4,6-O-(phenylmethylene)-, tris(2,2-dimethylpropanoate) [ACD/Index Name]
4,6-Di-O-benzyliden-1,2,3-tri-O-pivaloyl-β-D-glucopyranose
4,6-O-Benzylidene-1,2,3-tri-O-pivaloyl-b-D-glucopyranose
4,6-O-BENZYLIDENE-1,2,3-TRI-O-PIVALOYL-β-D-GLUCOPYRANOSE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 567.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 237.1±30.2 °C
Index of Refraction: 1.523
Molar Refractivity: 135.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.78
ACD/LogD (pH 5.5): 6.56
ACD/BCF (pH 5.5): 57281.79
ACD/KOC (pH 5.5): 88586.91
ACD/LogD (pH 7.4): 6.56
ACD/BCF (pH 7.4): 57281.79
ACD/KOC (pH 7.4): 88586.91
Polar Surface Area: 107 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 442.6±5.0 cm3

Click to predict properties on the Chemicalize site


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