ChemSpider 2D Image | (3beta,8xi,9xi,14xi,17xi)-Cholest-5-en-3-yl (9Z)-9-octadecenoate | C45H78O2

(3β,8ξ,9ξ,14ξ,17ξ)-Cholest-5-en-3-yl (9Z)-9-octadecenoate

  • Molecular FormulaC45H78O2
  • Average mass651.100 Da
  • Monoisotopic mass650.600159 Da
  • ChemSpider ID26263151

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(3β,8ξ,9ξ,14ξ,17ξ)-Cholest-5-en-3-yl (9Z)-9-octadecenoate [ACD/IUPAC Name]
(3β,8ξ,9ξ,14ξ,17ξ)-Cholest-5-en-3-yl-(9Z)-9-octadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Octadécénoate de (3β,8ξ,9ξ,14ξ,17ξ)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
9-Octadecenoic acid, (3β,8ξ,9ξ,14ξ,17ξ)-cholest-5-en-3-yl ester, (9Z)- [ACD/Index Name]
14-((1R)-1,5-dimethylhexyl)(5S,2R,15R)-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0< 11,15>]heptadec-7-en-5-yl (9Z)octadec-9-enoate
303-43-5 [RN]
9-octadecenoic acid, (3b)-cholest-5-en-3-yl ester, (9Z)-
Cholesteryl oleate
MFCD00003645 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 675.4±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 362.9±16.0 °C
Index of Refraction: 1.511
Molar Refractivity: 203.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 18.69
ACD/LogD (pH 5.5): 16.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 80.7±0.5 10-24cm3
Surface Tension: 38.3±5.0 dyne/cm
Molar Volume: 679.6±5.0 cm3

Click to predict properties on the Chemicalize site


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