ChemSpider 2D Image | (4xi)-1,4-Anhydro-3,5,6-tri-O-stearoyl-D-xylo-hexitol | C60H114O8

(4ξ)-1,4-Anhydro-3,5,6-tri-O-stearoyl-D-xylo-hexitol

  • Molecular FormulaC60H114O8
  • Average mass963.542 Da
  • Monoisotopic mass962.851379 Da
  • ChemSpider ID30791828

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(4ξ)-1,4-Anhydro-3,5,6-tri-O-stearoyl-D-xylo-hexitol [German] [ACD/IUPAC Name]
(4ξ)-1,4-Anhydro-3,5,6-tri-O-stearoyl-D-xylo-hexitol [ACD/IUPAC Name]
(4ξ)-1,4-Anhydro-3,5,6-tri-O-stearoyl-D-xylo-hexitol [French] [ACD/IUPAC Name]
D-xylo-Heξtol, 1,4-anhydro-3,5,6-tris-O-(1-oxooctadecyl)-, (4ξ)- [ACD/Index Name]
sorbitan tristearate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 885.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.2±6.0 kJ/mol
Flash Point: 221.4±27.8 °C
Index of Refraction: 1.488
Molar Refractivity: 286.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 56
#Rule of 5 Violations: 2
ACD/LogP: 24.85
ACD/LogD (pH 5.5): 23.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 23.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 108 Å2
Polarizability: 113.6±0.5 10-24cm3
Surface Tension: 40.6±5.0 dyne/cm
Molar Volume: 994.4±5.0 cm3

Click to predict properties on the Chemicalize site


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