ChemSpider 2D Image | Butyl (3beta)-cholest-5-en-3-yl carbonate | C32H54O3

Butyl (3β)-cholest-5-en-3-yl carbonate

  • Molecular FormulaC32H54O3
  • Average mass486.769 Da
  • Monoisotopic mass486.407288 Da
  • ChemSpider ID24589694

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

Butyl (3β)-cholest-5-en-3-yl carbonate [ACD/IUPAC Name]
Butyl-(3β)-cholest-5-en-3-ylcarbonat [German] [ACD/IUPAC Name]
Carbonate de butyle et de (3β)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
Carbonic acid, butyl (3β)-cholest-5-en-3-yl ester [ACD/Index Name]
(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 butyl 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 butyl carbonate
[41371-14-6] [RN]
3?-butyloxycarbonyloxycholestene-5
41371-14-6 [RN]
butyl [(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] carbonate
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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: 561.9±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.5±3.0 kJ/mol
    Flash Point: 142.1±15.9 °C
    Index of Refraction: 1.512
    Molar Refractivity: 145.2±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 12.33
    ACD/LogD (pH 5.5): 10.52
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 10000000.00
    ACD/LogD (pH 7.4): 10.52
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 10000000.00
    Polar Surface Area: 36 Å2
    Polarizability: 57.6±0.5 10-24cm3
    Surface Tension: 38.2±5.0 dyne/cm
    Molar Volume: 483.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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