ChemSpider 2D Image | CHOLESTEROL N-HEPTYL CARBONATE | C35H60O3

CHOLESTEROL N-HEPTYL CARBONATE

  • Molecular FormulaC35H60O3
  • Average mass528.849 Da
  • Monoisotopic mass528.454224 Da
  • ChemSpider ID24589581

  • 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 heptyl carbonate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl-heptylcarbonat [German] [ACD/IUPAC Name]
15455-81-9 [RN]
Carbonate de (3β)-cholest-5-én-3-yle et d'heptyle [French] [ACD/IUPAC Name]
Carbonic acid, (3β)-cholest-5-en-3-yl heptyl ester [ACD/Index Name]
Cholest-5-en-3-ol (3β)-, 3-(heptyl carbonate)
CHOLESTEROL N-HEPTYL 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 heptyl 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 heptyl carbonate
(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl heptyl 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: 595.2±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.7±3.0 kJ/mol
    Flash Point: 144.0±15.9 °C
    Index of Refraction: 1.510
    Molar Refractivity: 159.1±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 2
    ACD/LogP: 13.93
    ACD/LogD (pH 5.5): 12.58
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 10000000.00
    ACD/LogD (pH 7.4): 12.58
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 10000000.00
    Polar Surface Area: 36 Å2
    Polarizability: 63.1±0.5 10-24cm3
    Surface Tension: 38.2±5.0 dyne/cm
    Molar Volume: 531.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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