ChemSpider 2D Image | 2,3,4,5-Tetra-O-acetyl-1,6-di-O-benzoylhexitol | C28H30O12

2,3,4,5-Tetra-O-acetyl-1,6-di-O-benzoylhexitol

  • Molecular FormulaC28H30O12
  • Average mass558.531 Da
  • Monoisotopic mass558.173706 Da
  • ChemSpider ID276714

More details:

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

2,3,4,5-Tetra-O-acetyl-1,6-di-O-benzoylhexitol [ACD/IUPAC Name]
2,3,4,5-Tetra-O-acetyl-1,6-di-O-benzoylhexitol [German] [ACD/IUPAC Name]
2,3,4,5-Tétra-O-acétyl-1,6-di-O-benzoylhexitol [French] [ACD/IUPAC Name]
Hexitol, 2,3,4,5-tetraacetate 1,6-dibenzoate [ACD/Index Name]

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

NSC225044 [DBID]
NSC226068 [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: 620.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 260.0±31.5 °C
Index of Refraction: 1.533
Molar Refractivity: 136.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1031.60
ACD/KOC (pH 5.5): 4996.56
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1031.60
ACD/KOC (pH 7.4): 4996.56
Polar Surface Area: 158 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 439.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement