ChemSpider 2D Image | Cholesteryl arachidonate | C47H76O2

Cholesteryl arachidonate

  • Molecular FormulaC47H76O2
  • Average mass673.105 Da
  • Monoisotopic mass672.584534 Da
  • ChemSpider ID4980154

  • 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 (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl-(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoat [German] [ACD/IUPAC Name]
(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatétraénoate de (3β)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
5,8,11,14-Eicosatetraenoic acid, (3β)-cholest-5-en-3-yl ester, (5Z,8Z,11Z,14Z)- [ACD/Index Name]
604-34-2 [RN]
Cholesteryl arachidonate
(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 (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
(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 (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
(3β)-cholest-5-en-3-ol 3-[(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoate]
(3β)-cholest-5-en-3-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS187900 [DBID]
AIDS-187900 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 697.9±54.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.2±3.0 kJ/mol
Flash Point: 376.9±18.8 °C
Index of Refraction: 1.527
Molar Refractivity: 212.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 17.99
ACD/LogD (pH 5.5): 15.67
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.67
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: 39.5±5.0 dyne/cm
Molar Volume: 691.6±5.0 cm3

Click to predict properties on the Chemicalize site


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