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

(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl (9Z)-octadec-9-en-1-yl carbonate
(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]
3β-Hydroxy-5-cholestene 3-oleyl carbonate
5-Cholesten-3-yl 9-octadecenyl carbonate
5-Cholesten-3β-ol 3-oleyl carbonate
Carbonate de (3β)-cholest-5-én-3-yle et de (9Z)-9-octadécén-1-yle [French] [ACD/IUPAC Name]
More...

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

95LLB1K2WE [DBID]
UNII:95LLB1K2WE [DBID]
UNII-95LLB1K2WE [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: 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

    Click to predict properties on the Chemicalize site


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