ChemSpider 2D Image | Sorbitan, tri-(9Z)-9-octadecenoate | C60H108O8

Sorbitan, tri-(9Z)-9-octadecenoate

  • Molecular FormulaC60H108O8
  • Average mass957.495 Da
  • Monoisotopic mass956.804443 Da
  • ChemSpider ID17215439

  • 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-2,3,6-tri-O--(9Z)-9-octadecenoyl-L-iditol [ACD/IUPAC Name]
1,4-Anhydro-2,3,6-tri-O--(9Z)-9-octadecenoyl-L-iditol [German] [ACD/IUPAC Name]
1,4-Anhydro-2,3,6-tri-O--(9Z)-9-octadecenoyl-L-iditol [French] [ACD/IUPAC Name]
1,4-anhydro-2,3,6-tri-O--(9Z)-octadec-9-enoyl-D-glucitol
1,4-anhydro-2,3,6-tri-O--(9Z)-octadec-9-enoyl-L-iditol
247-569-3 [EINECS]
26266-58-0 [RN]
L-Iditol, 1,4-anhydro-2,3,6-tris-O-[(9Z)-1-oxo-9-octadecen-1-yl]- [ACD/Index Name]
L-iditol, 1,4-anhydro-2,3,6-tris-O-[(9Z)-1-oxo-9-octadecenyl]-
MFCD00133820 [MDL number]
More...

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: 24.10
ACD/LogD (pH 5.5): 21.95
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 21.95
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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