ChemSpider 2D Image | (5xi)-1,4-Anhydro-5,6-di-O--(9Z)-9-octadecenoyl-D-xylo-hexitol | C42H76O7

(5ξ)-1,4-Anhydro-5,6-di-O--(9Z)-9-octadecenoyl-D-xylo-hexitol

  • Molecular FormulaC42H76O7
  • Average mass693.049 Da
  • Monoisotopic mass692.559082 Da
  • ChemSpider ID95602058

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(5ξ)-1,4-Anhydro-5,6-di-O--(9Z)-9-octadecenoyl-D-xylo-hexitol [German] [ACD/IUPAC Name]
(5ξ)-1,4-Anhydro-5,6-di-O--(9Z)-9-octadecenoyl-D-xylo-hexitol [ACD/IUPAC Name]
(5ξ)-1,4-Anhydro-5,6-di-O--(9Z)-9-octadecenoyl-D-xylo-hexitol [French] [ACD/IUPAC Name]
D-xylo-Heξtol, 1,4-anhydro-5,6-bis-O-[(9Z)-1-oxo-9-octadecen-1-yl]-, (5ξ)- [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: 738.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.0±6.0 kJ/mol
Flash Point: 205.1±26.4 °C
Index of Refraction: 1.493
Molar Refractivity: 202.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 2
ACD/LogP: 15.19
ACD/LogD (pH 5.5): 13.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.48
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: 40.1±3.0 dyne/cm
Molar Volume: 697.8±3.0 cm3

Click to predict properties on the Chemicalize site


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