ChemSpider 2D Image | Anhydrosorbitol dioleate | C42H76O7

Anhydrosorbitol dioleate

  • Molecular FormulaC42H76O7
  • Average mass693.049 Da
  • Monoisotopic mass692.559082 Da
  • ChemSpider ID50645743

  • 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-3,5-di-O--(9Z)-9-octadecenoyl-D-glucitol [German] [ACD/IUPAC Name]
1,4-Anhydro-3,5-di-O--(9Z)-9-octadecenoyl-D-glucitol [ACD/IUPAC Name]
1,4-Anhydro-3,5-di-O--(9Z)-9-octadecenoyl-D-glucitol [French] [ACD/IUPAC Name]
29116-98-1 [RN]
Anhydrosorbitol dioleate
D-Glucitol, 1,4-anhydro-3,5-bis-O-[(9Z)-1-oxo-9-octadecen-1-yl]- [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: 743.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.7±6.0 kJ/mol
Flash Point: 206.7±26.4 °C
Index of Refraction: 1.501
Molar Refractivity: 202.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 14.71
ACD/LogD (pH 5.5): 13.20
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.20
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: 42.4±5.0 dyne/cm
Molar Volume: 688.2±5.0 cm3

Click to predict properties on the Chemicalize site


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