ChemSpider 2D Image | 5-Cholesten-3beta-yl isobutyl carbonate | C32H54O3

5-Cholesten-3β-yl isobutyl carbonate

  • Molecular FormulaC32H54O3
  • Average mass486.769 Da
  • Monoisotopic mass486.407288 Da
  • ChemSpider ID20056036

  • 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 isobutyl carbonate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl-isobutylcarbonat [German] [ACD/IUPAC Name]
5-Cholesten-3β-yl isobutyl carbonate
Carbonate de (3β)-cholest-5-én-3-yle et d'isobutyle [French] [ACD/IUPAC Name]
Carbonic acid, (3β)-cholest-5-en-3-yl 2-methylpropyl 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 2-methylpropyl 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 2-methylpropyl carbonate
(3β)-Cholest-5-en-3-yl 2-methylpropyl carbonate
77546-35-1 [RN]
Cholesterol Isobutyl Carbonate
More...

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 558.4±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.0±3.0 kJ/mol
    Flash Point: 140.5±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: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 12.15
    ACD/LogD (pH 5.5): 10.45
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 10000000.00
    ACD/LogD (pH 7.4): 10.45
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 10000000.00
    Polar Surface Area: 36 Å2
    Polarizability: 57.5±0.5 10-24cm3
    Surface Tension: 37.8±5.0 dyne/cm
    Molar Volume: 484.1±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement