ChemSpider 2D Image | (5alpha,8alpha,9beta)-Cholest-2-en-3-yl acetate | C29H48O2

(5α,8α,9β)-Cholest-2-en-3-yl acetate

  • Molecular FormulaC29H48O2
  • Average mass428.690 Da
  • Monoisotopic mass428.365417 Da
  • ChemSpider ID62496966

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5α,8α,9β)-Cholest-2-en-3-yl acetate [ACD/IUPAC Name]
(5α,8α,9β)-Cholest-2-en-3-yl-acetat [German] [ACD/IUPAC Name]
(5β,14β,17α)-Cholest-2-en-3-yl acetate [ACD/IUPAC Name]
(5β,14β,17α)-Cholest-2-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α,8α,9β)-cholest-2-én-3-yle [French] [ACD/IUPAC Name]
Acétate de (5β,14β,17α)-cholest-2-én-3-yle [French] [ACD/IUPAC Name]
Cholest-2-en-3-ol, acetate, (5α,8α,9β)- [ACD/Index Name]
Cholest-2-en-3-ol, acetate, (5β,14β,17α)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 504.9±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 213.7±18.4 °C
Index of Refraction: 1.516
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 11.25
ACD/LogD (pH 5.5): 9.61
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4004072.00
ACD/LogD (pH 7.4): 9.61
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4004072.00
Polar Surface Area: 26 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 37.4±5.0 dyne/cm
Molar Volume: 429.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement