ChemSpider 2D Image | 1,4-Anhydro-2,3,5-tri-O-palmitoylhexitol | C54H102O8

1,4-Anhydro-2,3,5-tri-O-palmitoylhexitol

  • Molecular FormulaC54H102O8
  • Average mass879.383 Da
  • Monoisotopic mass878.757446 Da
  • ChemSpider ID13816821

More details:

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

1,4-Anhydro-2,3,5-tri-O-palmitoylhexitol [ACD/IUPAC Name]
1,4-Anhydro-2,3,5-tri-O-palmitoylhexitol [German] [ACD/IUPAC Name]
1,4-Anhydro-2,3,5-tri-O-palmitoylhexitol [French] [ACD/IUPAC Name]
258-994-9 [EINECS]
54140-20-4 [RN]
Hexitol, 1,4-anhydro-2,3,5-tris-O-(1-oxohexadecyl)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 840.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.8±6.0 kJ/mol
Flash Point: 216.5±27.8 °C
Index of Refraction: 1.488
Molar Refractivity: 258.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 50
#Rule of 5 Violations: 2
ACD/LogP: 22.12
ACD/LogD (pH 5.5): 20.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 20.57
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 108 Å2
Polarizability: 102.6±0.5 10-24cm3
Surface Tension: 40.7±5.0 dyne/cm
Molar Volume: 898.8±5.0 cm3

Click to predict properties on the Chemicalize site


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