ChemSpider 2D Image | 3,4,6-Tri-O-benzoyl-1,2-O-isopropylidenehexopyranose | C30H28O9

3,4,6-Tri-O-benzoyl-1,2-O-isopropylidenehexopyranose

  • Molecular FormulaC30H28O9
  • Average mass532.538 Da
  • Monoisotopic mass532.173340 Da
  • ChemSpider ID190640

More details:

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

3,4,6-Tri-O-benzoyl-1,2-O-isopropylidenehexopyranose [ACD/IUPAC Name]
3,4,6-Tri-O-benzoyl-1,2-O-isopropylidènehexopyranose [French] [ACD/IUPAC Name]
3,4,6-Tri-O-benzoyl-1,2-O-isopropylidenhexopyranose [German] [ACD/IUPAC Name]
Hexopyranose, 1,2-O-(1-methylethylidene)-, tribenzoate [ACD/Index Name]
5346-79-2 [RN]
GLUCOPYRANOSE,1,2-O-ISOPROPYLIDENE-, TRIBENZOATE, A-D- (8CI)

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

NSC1677 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 631.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 266.8±31.5 °C
Index of Refraction: 1.614
Molar Refractivity: 138.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.52
ACD/LogD (pH 5.5): 6.68
ACD/BCF (pH 5.5): 70720.37
ACD/KOC (pH 5.5): 103011.24
ACD/LogD (pH 7.4): 6.68
ACD/BCF (pH 7.4): 70720.37
ACD/KOC (pH 7.4): 103011.24
Polar Surface Area: 107 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 397.0±5.0 cm3

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