ChemSpider 2D Image | (3beta,5beta,8xi,9xi,10alpha,13alpha,14xi,16alpha)-16-Bromo-17-oxoandrostan-3-yl acetate | C21H31BrO3

(3β,5β,8ξ,9ξ,10α,13α,14ξ,16α)-16-Bromo-17-oxoandrostan-3-yl acetate

  • Molecular FormulaC21H31BrO3
  • Average mass411.373 Da
  • Monoisotopic mass410.145660 Da
  • ChemSpider ID22902506

  • defined stereocentres - 3 of 8 defined stereocentres

More details:

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

(3β,5β,8ξ,9ξ,10α,13α,14ξ,16α)-16-Brom-17-oxoandrostan-3-yl-acetat [German] [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,10α,13α,14ξ,16α)-16-Bromo-17-oxoandrostan-3-yl acetate [ACD/IUPAC Name]
Acétate de (3β,5β,8ξ,9ξ,10α,13α,14ξ,16α)-16-bromo-17-oxoandrostan-3-yle [French] [ACD/IUPAC Name]
Androstan-17-one, 3-(acetyloxy)-16-bromo-, (3β,5β,8ξ,9ξ,10α,13α,14ξ,16α)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 458.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 231.0±28.7 °C
Index of Refraction: 1.550
Molar Refractivity: 100.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1822.11
ACD/KOC (pH 5.5): 7507.87
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1822.11
ACD/KOC (pH 7.4): 7507.87
Polar Surface Area: 43 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 316.3±5.0 cm3

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