ChemSpider 2D Image | Cholesteryl linolenate | C45H74O2

Cholesteryl linolenate

  • Molecular FormulaC45H74O2
  • Average mass647.068 Da
  • Monoisotopic mass646.568909 Da
  • ChemSpider ID4941513

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β)-Cholest-5-en-3-yl (9Z,12Z,15Z)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
(3β)-Cholest-5-en-3-yl-(9Z,12Z,15Z)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
(9Z,12Z,15Z)-9,12,15-Octadécatriénoate de (3β)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
219-824-9 [EINECS]
9,12,15-Octadecatrienoic acid, (3β)-cholest-5-en-3-yl ester, (9Z,12Z,15Z)- [ACD/Index Name]
Cholesteryl linolenate
(1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadec-7-en-5-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
(1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadec-7-en-5-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
(3b) Cholest 5 en 3 ol (Z,Z,Z) octadecatrienoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 678.9±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 365.0±16.0 °C
Index of Refraction: 1.523
Molar Refractivity: 203.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 17.49
ACD/LogD (pH 5.5): 15.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 80.6±0.5 10-24cm3
Surface Tension: 39.1±5.0 dyne/cm
Molar Volume: 666.2±5.0 cm3

Click to predict properties on the Chemicalize site


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