ChemSpider 2D Image | 1-Allyl-1,5-anhydro-2,3,4,6-tetra-O-benzoylhexitol | C37H32O9

1-Allyl-1,5-anhydro-2,3,4,6-tetra-O-benzoylhexitol

  • Molecular FormulaC37H32O9
  • Average mass620.645 Da
  • Monoisotopic mass620.204651 Da
  • ChemSpider ID112884

More details:

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

1-Allyl-1,5-anhydro-2,3,4,6-tetra-O-benzoylhexitol [ACD/IUPAC Name]
1-Allyl-1,5-anhydro-2,3,4,6-tetra-O-benzoylhexitol [German] [ACD/IUPAC Name]
1-Allyl-1,5-anhydro-2,3,4,6-tétra-O-benzoylhexitol [French] [ACD/IUPAC Name]
Non-1-enitol, 4,8-anhydro-1,2,3-trideoxy-, tetrabenzoate [ACD/Index Name]
3-(tetra-O-benzoyl-α-glucopyranosyl)-1-propene
98854-01-4 [RN]
D-GLYCERO-L-GULO-NON-8-ENITOL,2,6-ANHYDRO-7,8,9-TRIDEOXY-,TETRABENZO ATE
Tetrabenzoyl-glu-propene

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

Density: 1.3±0.1 g/cm3
Boiling Point: 728.0±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 299.8±31.0 °C
Index of Refraction: 1.624
Molar Refractivity: 167.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 10.23
ACD/LogD (pH 5.5): 8.58
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1105759.38
ACD/LogD (pH 7.4): 8.58
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1105759.38
Polar Surface Area: 114 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 475.6±5.0 cm3

Click to predict properties on the Chemicalize site


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