ChemSpider 2D Image | (3beta)-Cholest-5-en-3-yl isopropyl carbonate | C31H52O3

(3β)-Cholest-5-en-3-yl isopropyl carbonate

  • Molecular FormulaC31H52O3
  • Average mass472.743 Da
  • Monoisotopic mass472.391632 Da
  • ChemSpider ID24589693

  • 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 isopropyl carbonate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl-isopropylcarbonat [German] [ACD/IUPAC Name]
Carbonate de (3β)-cholest-5-én-3-yle et d'isopropyle [French] [ACD/IUPAC Name]
Carbonic acid, (3β)-cholest-5-en-3-yl 1-methylethyl 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 propan-2-yl 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 isopropyl carbonate
(3β)-Cholest-5-en-3-yl propan-2-yl 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] propan-2-yl carbonate
[78916-25-3] [RN]
78916-25-3 [RN]
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: 546.9±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 139.8±15.9 °C
Index of Refraction: 1.512
Molar Refractivity: 140.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 11.62
ACD/LogD (pH 5.5): 9.80
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5100889.00
ACD/LogD (pH 7.4): 9.80
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5100889.00
Polar Surface Area: 36 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 37.7±5.0 dyne/cm
Molar Volume: 468.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement