ChemSpider 2D Image | 2,6-Anhydro-1,4-di-O-stearoylhexitol | C42H80O7

2,6-Anhydro-1,4-di-O-stearoylhexitol

  • Molecular FormulaC42H80O7
  • Average mass697.080 Da
  • Monoisotopic mass696.590393 Da
  • ChemSpider ID17334032

More details:

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

2,6-Anhydro-1,4-di-O-stearoylhexitol [ACD/IUPAC Name]
2,6-Anhydro-1,4-di-O-stearoylhexitol [German] [ACD/IUPAC Name]
2,6-Anhydro-1,4-di-O-stearoylhexitol [French] [ACD/IUPAC Name]
299-549-9 [EINECS]
Hexitol, 2,6-anhydro-1,4-bis-O-(1-oxooctadecyl)- [ACD/Index Name]
[3,5-DIHYDROXY-4-(OCTADECANOYLOXY)OXAN-2-YL]METHYL OCTADECANOATE
93892-64-9 [RN]
tetrahydro-3,5-dihydroxy-2-[[(1-oxooctadecyl)oxy]methyl]-2H-pyran-4-yl stearate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 730.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.8±6.0 kJ/mol
Flash Point: 200.9±26.4 °C
Index of Refraction: 1.490
Molar Refractivity: 202.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 2
ACD/LogP: 15.77
ACD/LogD (pH 5.5): 14.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 102 Å2
Polarizability: 80.4±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 701.6±5.0 cm3

Click to predict properties on the Chemicalize site


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