ChemSpider 2D Image | (3beta)-Cholest-5-en-3-yl [2-(dimethylamino)ethyl]carbamate | C32H56N2O2

(3β)-Cholest-5-en-3-yl [2-(dimethylamino)ethyl]carbamate

  • Molecular FormulaC32H56N2O2
  • Average mass500.799 Da
  • Monoisotopic mass500.434174 Da
  • ChemSpider ID103106

  • 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 [2-(dimethylamino)ethyl]carbamate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl-[2-(dimethylamino)ethyl]carbamat [German] [ACD/IUPAC Name]
[2-(Diméthylamino)éthyl]carbamate de (3β)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-[2-(dimethylamino)ethyl]-, (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 N-[2-(dimethylamino)ethyl]carbamate
(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 N-[2-(dimethylamino)ethyl]carbamate
[(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] N-[2-(dimethylamino)ethyl]carbamate
137056-72-5 [RN]
3-(N-(N',N'-Dimethylaminoethane)carbamoyl)cholesterol
3??-[N-(N',N'-Dimethylaminoethane)-carbamoyl]cholesterol
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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: 578.1±39.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 86.5±3.0 kJ/mol
    Flash Point: 303.4±27.1 °C
    Index of Refraction: 1.527
    Molar Refractivity: 151.0±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 10.63
    ACD/LogD (pH 5.5): 6.66
    ACD/BCF (pH 5.5): 20077.78
    ACD/KOC (pH 5.5): 9783.16
    ACD/LogD (pH 7.4): 8.34
    ACD/BCF (pH 7.4): 948615.81
    ACD/KOC (pH 7.4): 462225.16
    Polar Surface Area: 42 Å2
    Polarizability: 59.9±0.5 10-24cm3
    Surface Tension: 40.1±5.0 dyne/cm
    Molar Volume: 491.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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