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Search term: 17221002 (Found by CSID)
ChemSpider 2D Image | (3beta)-Cholest-5-en-3-yl (11Z,14Z)-11,14-icosadienoate | C47H80O2

(3β)-Cholest-5-en-3-yl (11Z,14Z)-11,14-icosadienoate

  • Molecular FormulaC47H80O2
  • Average mass677.137 Da
  • Monoisotopic mass676.615845 Da
  • ChemSpider ID17221002

  • 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

(11Z,14Z)-11,14-Icosadiénoate de (3β)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl (11Z,14Z)-11,14-icosadienoate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl-(11Z,14Z)-11,14-icosadienoat [German] [ACD/IUPAC Name]
11,14-Eicosadienoic acid, (3β)-cholest-5-en-3-yl ester, (11Z,14Z)- [ACD/Index Name]
77715-45-8 [RN]
Cholest-5-en-3-ol (3β)-, 3-[(11Z,14Z)-11,14-eicosadienoate]
(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 (11Z,14Z)-icosa-11,14-dienoate
20:2 Cholesterol ester
CE(20:2)
Cholest-5-en-3??-yl (11Z,14Z-eicosadienoate)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.0±0.1 g/cm3
Boiling Point: 692.5±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 373.5±13.2 °C
Index of Refraction: 1.515
Molar Refractivity: 212.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 19.23
ACD/LogD (pH 5.5): 17.14
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.14
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 84.3±0.5 10-24cm3
Surface Tension: 38.7±5.0 dyne/cm
Molar Volume: 704.9±5.0 cm3

Click to predict properties on the Chemicalize site


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