ChemSpider 2D Image | Cholesteryl oleyl carbonate | C46H80O3

Cholesteryl oleyl carbonate

  • Molecular FormulaC46H80O3
  • Average mass681.126 Da
  • Monoisotopic mass680.610718 Da
  • ChemSpider ID4895486
  • 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)-9-octadecen-1-yl carbonate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl (9Z)-octadec-9-en-1-yl carbonate
(3β)-Cholest-5-en-3-yl-(9Z)-9-octadecen-1-ylcarbonat [German] [ACD/IUPAC Name]
17110-51-9 [RN]
241-179-7 [EINECS]
Carbonate de (3β)-cholest-5-én-3-yle et de (9Z)-9-octadécén-1-yle [French] [ACD/IUPAC Name]
Carbonic acid, (3β)-cholest-5-en-3-yl (9Z)-9-octadecen-1-yl ester [ACD/Index Name]
Cholesteryl oleyl carbonate [Wiki]
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] [(Z)-octadec-9-enyl] carbonate
[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] [(Z)-octadec-9-enyl] carbonate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 712.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 152.3±21.4 °C
Index of Refraction: 1.510
Molar Refractivity: 209.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 2
ACD/LogP: 19.25
ACD/LogD (pH 5.5): 17.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.28
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 36 Å2
Polarizability: 83.2±0.5 10-24cm3
Surface Tension: 38.8±5.0 dyne/cm
Molar Volume: 701.5±5.0 cm3

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