ChemSpider 2D Image | (5alpha,9xi,14xi)-Androsta-2,16-dien-17-yl acetate | C21H30O2

(5α,9ξ,14ξ)-Androsta-2,16-dien-17-yl acetate

  • Molecular FormulaC21H30O2
  • Average mass314.462 Da
  • Monoisotopic mass314.224579 Da
  • ChemSpider ID113064093

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(5α,9ξ,14ξ)-Androsta-2,16-dien-17-yl acetate [ACD/IUPAC Name]
(5α,9ξ,14ξ)-Androsta-2,16-dien-17-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α,9ξ,14ξ)-androsta-2,16-dién-17-yle [French] [ACD/IUPAC Name]
Androsta-2,16-dien-17-ol, acetate, (5α,9ξ,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: 413.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 174.4±26.1 °C
Index of Refraction: 1.547
Molar Refractivity: 92.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.92
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6973.66
ACD/KOC (pH 5.5): 19621.87
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6973.66
ACD/KOC (pH 7.4): 19621.87
Polar Surface Area: 26 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 40.4±5.0 dyne/cm
Molar Volume: 291.5±5.0 cm3

Click to predict properties on the Chemicalize site


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