ChemSpider 2D Image | Cholesteryl Hexadecyl Carbonate | C44H78O3

Cholesteryl Hexadecyl Carbonate

  • Molecular FormulaC44H78O3
  • Average mass655.088 Da
  • Monoisotopic mass654.595093 Da
  • ChemSpider ID16499287

  • 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 hexadecyl carbonate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl-hexadecylcarbonat [German] [ACD/IUPAC Name]
15455-87-5 [RN]
Carbonate de (3β)-cholest-5-én-3-yle et d'hexadécyle [French] [ACD/IUPAC Name]
Carbonic acid, (3β)-cholest-5-en-3-yl hexadecyl ester [ACD/Index Name]
Cholesteryl Hexadecyl Carbonate
(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 hexadecyl carbonate
(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,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl hexadecyl carbonate
[(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] hexadecyl carbonate
14-((1R)-1,5-dimethylhexyl)(1S,5S,10S,11S,2R,14R,15R)-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-7-en-5-yl hexadecyloxyformate
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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: 688.1±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.9±3.0 kJ/mol
    Flash Point: 148.3±17.3 °C
    Index of Refraction: 1.506
    Molar Refractivity: 200.8±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 23
    #Rule of 5 Violations: 2
    ACD/LogP: 18.71
    ACD/LogD (pH 5.5): 17.06
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 10000000.00
    ACD/LogD (pH 7.4): 17.06
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 10000000.00
    Polar Surface Area: 36 Å2
    Polarizability: 79.6±0.5 10-24cm3
    Surface Tension: 38.4±5.0 dyne/cm
    Molar Volume: 676.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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