ChemSpider 2D Image | (3beta,8alpha,9beta,17alpha)-Cholest-5-en-3-yl 3-cyclohexylpropanoate | C36H60O2

(3β,8α,9β,17α)-Cholest-5-en-3-yl 3-cyclohexylpropanoate

  • Molecular FormulaC36H60O2
  • Average mass524.860 Da
  • Monoisotopic mass524.459351 Da
  • ChemSpider ID10060044

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,8α,9β,17α)-Cholest-5-en-3-yl 3-cyclohexylpropanoate [ACD/IUPAC Name]
(3β,8α,9β,17α)-Cholest-5-en-3-yl-3-cyclohexylpropanoat [German] [ACD/IUPAC Name]
3-Cyclohexylpropanoate de (3β,8α,9β,17α)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]
Cyclohexanepropanoic acid, (3β,8α,9β,17α)-cholest-5-en-3-yl ester [ACD/Index Name]

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

ZINC04256830 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 583.5±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 305.3±11.8 °C
Index of Refraction: 1.523
Molar Refractivity: 159.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 13.83
ACD/LogD (pH 5.5): 12.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.45
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 26 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 39.2±5.0 dyne/cm
Molar Volume: 523.7±5.0 cm3

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