ChemSpider 2D Image | (5beta,8alpha,17alpha)-3-Oxoandrostan-17-yl benzoate | C26H34O3

(5β,8α,17α)-3-Oxoandrostan-17-yl benzoate

  • Molecular FormulaC26H34O3
  • Average mass394.546 Da
  • Monoisotopic mass394.250793 Da
  • ChemSpider ID62293319

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5β,10α,14β,17α)-3-Oxoandrostan-17-yl benzoate [ACD/IUPAC Name]
(5β,10α,14β,17α)-3-Oxoandrostan-17-yl-benzoat [German] [ACD/IUPAC Name]
(5β,8α,17α)-3-Oxoandrostan-17-yl benzoate [ACD/IUPAC Name]
(5β,8α,17α)-3-Oxoandrostan-17-yl-benzoat [German] [ACD/IUPAC Name]
Androstan-3-one, 17-(benzoyloxy)-, (5β,10α,14β,17α)- [ACD/Index Name]
Androstan-3-one, 17-(benzoyloxy)-, (5β,8α,17α)- [ACD/Index Name]
Benzoate de (5β,10α,14β,17α)-3-oxoandrostan-17-yle [French] [ACD/IUPAC Name]
Benzoate de (5β,8α,17α)-3-oxoandrostan-17-yle [French] [ACD/IUPAC 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: 505.6±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 216.7±28.2 °C
Index of Refraction: 1.569
Molar Refractivity: 113.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 10666.04
ACD/KOC (pH 5.5): 26597.07
ACD/LogD (pH 7.4): 5.60
ACD/BCF (pH 7.4): 10666.04
ACD/KOC (pH 7.4): 26597.07
Polar Surface Area: 43 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 345.1±5.0 cm3

Click to predict properties on the Chemicalize site


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