ChemSpider 2D Image | (8alpha,9beta,10alpha,13alpha,17beta)-3-Oxoandrosta-1,4-dien-17-yl acetate | C21H28O3

(8α,9β,10α,13α,17β)-3-Oxoandrosta-1,4-dien-17-yl acetate

  • Molecular FormulaC21H28O3
  • Average mass328.445 Da
  • Monoisotopic mass328.203857 Da
  • ChemSpider ID62683547

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8α,9β,10α,13α,17β)-3-Oxoandrosta-1,4-dien-17-yl acetate [ACD/IUPAC Name]
(8α,9β,10α,13α,17β)-3-Oxoandrosta-1,4-dien-17-yl-acetat [German] [ACD/IUPAC Name]
(8α,9β,10α,14β,17α)-3-Oxoandrosta-1,4-dien-17-yl acetate [ACD/IUPAC Name]
(8α,9β,10α,14β,17α)-3-Oxoandrosta-1,4-dien-17-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (8α,9β,10α,13α,17β)-3-oxoandrosta-1,4-dién-17-yle [French] [ACD/IUPAC Name]
Acétate de (8α,9β,10α,14β,17α)-3-oxoandrosta-1,4-dién-17-yle [French] [ACD/IUPAC Name]
Androsta-1,4-dien-3-one, 17-(acetyloxy)-, (8α,9β,10α,13α,17β)- [ACD/Index Name]
Androsta-1,4-dien-3-one, 17-(acetyloxy)-, (8α,9β,10α,14β,17α)- [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: 443.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.1±3.0 kJ/mol
Flash Point: 192.7±28.8 °C
Index of Refraction: 1.555
Molar Refractivity: 92.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 699.66
ACD/KOC (pH 5.5): 3784.18
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 699.66
ACD/KOC (pH 7.4): 3784.18
Polar Surface Area: 43 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 43.3±5.0 dyne/cm
Molar Volume: 288.4±5.0 cm3

Click to predict properties on the Chemicalize site


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