ChemSpider 2D Image | (5alpha)-3-Hydroxyandrostan-17-yl cyclohexanecarboxylate | C26H42O3

(5α)-3-Hydroxyandrostan-17-yl cyclohexanecarboxylate

  • Molecular FormulaC26H42O3
  • Average mass402.610 Da
  • Monoisotopic mass402.313385 Da
  • ChemSpider ID59755191

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(5α)-3-Hydroxyandrostan-17-yl cyclohexanecarboxylate [ACD/IUPAC Name]
(5α)-3-Hydroxyandrostan-17-yl-cyclohexancarboxylat [German] [ACD/IUPAC Name]
Cyclohexanecarboxylate de (5α)-3-hydroxyandrostan-17-yle [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, (5α)-3-hydroxyandrostan-17-yl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 501.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.7±6.0 kJ/mol
Flash Point: 190.1±15.4 °C
Index of Refraction: 1.543
Molar Refractivity: 115.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.28
ACD/LogD (pH 5.5): 6.21
ACD/BCF (pH 5.5): 30838.40
ACD/KOC (pH 5.5): 56869.07
ACD/LogD (pH 7.4): 6.21
ACD/BCF (pH 7.4): 30838.40
ACD/KOC (pH 7.4): 56869.07
Polar Surface Area: 47 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 366.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement