ChemSpider 2D Image | (5xi)-1,4-Anhydro-6-O-[(9E)-9-octadecenoyl]-D-xylo-hexitol | C24H44O6

(5ξ)-1,4-Anhydro-6-O-[(9E)-9-octadecenoyl]-D-xylo-hexitol

  • Molecular FormulaC24H44O6
  • Average mass428.603 Da
  • Monoisotopic mass428.313782 Da
  • ChemSpider ID114937469

  • 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-6-O-[(9E)-9-octadecenoyl]-D-xylo-hexitol [German] [ACD/IUPAC Name]
(5ξ)-1,4-Anhydro-6-O-[(9E)-9-octadecenoyl]-D-xylo-hexitol [ACD/IUPAC Name]
(5ξ)-1,4-Anhydro-6-O-[(9E)-9-octadecenoyl]-D-xylo-hexitol [French] [ACD/IUPAC Name]
D-xylo-Heξtol, 1,4-anhydro-6-O-[(9E)-1-oxo-9-octadecen-1-yl]-, (5ξ)- [ACD/Index Name]
1338-43-8 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 579.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.5±6.0 kJ/mol
Flash Point: 186.2±23.6 °C
Index of Refraction: 1.506
Molar Refractivity: 119.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 7.14
ACD/LogD (pH 5.5): 6.31
ACD/BCF (pH 5.5): 36728.44
ACD/KOC (pH 5.5): 64448.41
ACD/LogD (pH 7.4): 6.31
ACD/BCF (pH 7.4): 36728.32
ACD/KOC (pH 7.4): 64448.20
Polar Surface Area: 96 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 401.1±3.0 cm3

Click to predict properties on the Chemicalize site


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