ChemSpider 2D Image | 1,2,3-Tri-O-benzoyl-4,6-di-O-methylhexopyranose | C29H28O9

1,2,3-Tri-O-benzoyl-4,6-di-O-methylhexopyranose

  • Molecular FormulaC29H28O9
  • Average mass520.527 Da
  • Monoisotopic mass520.173340 Da
  • ChemSpider ID278165

More details:

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

1,2,3-Tri-O-benzoyl-4,6-di-O-methylhexopyranose [ACD/IUPAC Name]
1,2,3-Tri-O-benzoyl-4,6-di-O-methylhexopyranose [German] [ACD/IUPAC Name]
1,2,3-Tri-O-benzoyl-4,6-di-O-méthylhexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 4,6-di-O-methyl-, tribenzoate [ACD/Index Name]
69370-72-5 [RN]
A-D-MANNOPYRANOSE,4,6-DI-O-METHYL-, TRIBENZOATE (9CI)

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

NSC231873 [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: 631.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 267.0±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 135.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 7.36
ACD/LogD (pH 5.5): 5.97
ACD/BCF (pH 5.5): 20350.30
ACD/KOC (pH 5.5): 42233.92
ACD/LogD (pH 7.4): 5.97
ACD/BCF (pH 7.4): 20350.30
ACD/KOC (pH 7.4): 42233.92
Polar Surface Area: 107 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 399.3±5.0 cm3

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