ChemSpider 2D Image | (5alpha,8xi,9xi,10alpha,13alpha,14xi)-3-Oxoandrostan-17-yl acetate | C21H32O3

(5α,8ξ,9ξ,10α,13α,14ξ)-3-Oxoandrostan-17-yl acetate

  • Molecular FormulaC21H32O3
  • Average mass332.477 Da
  • Monoisotopic mass332.235138 Da
  • ChemSpider ID21499957

  • defined stereocentres - 1 of 7 defined stereocentres

More details:

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

(5α,8ξ,9ξ,10α,13α,14ξ)-3-Oxoandrostan-17-yl acetate [ACD/IUPAC Name]
(5α,8ξ,9ξ,10α,13α,14ξ)-3-Oxoandrostan-17-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α,8ξ,9ξ,10α,13α,14ξ)-3-oxoandrostan-17-yle [French] [ACD/IUPAC Name]
Androstan-3-one, 17-(acetyloxy)-, (5α,8ξ,9ξ,10α,13α,14ξ)- [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: 424.6±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 182.8±26.8 °C
Index of Refraction: 1.527
Molar Refractivity: 93.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1027.59
ACD/KOC (pH 5.5): 4982.67
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1027.59
ACD/KOC (pH 7.4): 4982.67
Polar Surface Area: 43 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 302.5±5.0 cm3

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