ChemSpider 2D Image | (8alpha,9beta,10alpha,13xi,14beta,17alpha)-3-Oxoandrostan-17-yl propionate | C22H34O3

(8α,9β,10α,13ξ,14β,17α)-3-Oxoandrostan-17-yl propionate

  • Molecular FormulaC22H34O3
  • Average mass346.504 Da
  • Monoisotopic mass346.250793 Da
  • ChemSpider ID111314396

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(8α,9β,10α,13ξ,14β,17α)-3-Oxoandrostan-17-yl propionate [ACD/IUPAC Name]
(8α,9β,10α,13ξ,14β,17α)-3-Oxoandrostan-17-ylpropionat [German] [ACD/IUPAC Name]
Androstan-3-one, 17-(1-oxopropoxy)-, (8α,9β,10α,13ξ,14β,17α)- [ACD/Index Name]
Propionate de (8α,9β,10α,13ξ,14β,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: 438.0±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.5±3.0 kJ/mol
Flash Point: 188.0±26.8 °C
Index of Refraction: 1.525
Molar Refractivity: 97.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1835.45
ACD/KOC (pH 5.5): 7547.18
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1835.45
ACD/KOC (pH 7.4): 7547.18
Polar Surface Area: 43 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 41.0±5.0 dyne/cm
Molar Volume: 318.6±5.0 cm3

Click to predict properties on the Chemicalize site


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