ChemSpider 2D Image | 1,4-Anhydro-2,3,5-tri-O--(9E)-9-octadecenoyl-D-glucitol | C60H108O8

1,4-Anhydro-2,3,5-tri-O--(9E)-9-octadecenoyl-D-glucitol

  • Molecular FormulaC60H108O8
  • Average mass957.495 Da
  • Monoisotopic mass956.804443 Da
  • ChemSpider ID57618327

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,4-Anhydro-2,3,5-tri-O--(9E)-9-octadecenoyl-D-glucitol [German] [ACD/IUPAC Name]
1,4-Anhydro-2,3,5-tri-O--(9E)-9-octadecenoyl-D-glucitol [ACD/IUPAC Name]
1,4-Anhydro-2,3,5-tri-O--(9E)-9-octadecenoyl-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,4-anhydro-2,3,5-tris-O-[(9E)-1-oxo-9-octadecen-1-yl]- [ACD/Index Name]
26266-58-0 [RN]
MFCD00133820 [MDL number]

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

Span 85 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 887.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.5±6.0 kJ/mol
Flash Point: 223.7±27.8 °C
Index of Refraction: 1.499
Molar Refractivity: 286.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 53
#Rule of 5 Violations: 2
ACD/LogP: 23.75
ACD/LogD (pH 5.5): 21.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.56
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 108 Å2
Polarizability: 113.5±0.5 10-24cm3
Surface Tension: 41.5±5.0 dyne/cm
Molar Volume: 974.4±5.0 cm3

Click to predict properties on the Chemicalize site


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