ChemSpider 2D Image | (3alpha,8alpha,10alpha,13alpha)-17-Cyanoandrosta-5,16-dien-3-yl acetate | C22H29NO2

(3α,8α,10α,13α)-17-Cyanoandrosta-5,16-dien-3-yl acetate

  • Molecular FormulaC22H29NO2
  • Average mass339.471 Da
  • Monoisotopic mass339.219818 Da
  • ChemSpider ID62311267

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3α,8α,10α,13α)-17-Cyanandrosta-5,16-dien-3-yl-acetat [German] [ACD/IUPAC Name]
(3α,8α,10α,13α)-17-Cyanoandrosta-5,16-dien-3-yl acetate [ACD/IUPAC Name]
(3β,8α,10α,13α,14β)-17-Cyanandrosta-5,16-dien-3-yl-acetat [German] [ACD/IUPAC Name]
(3β,8α,10α,13α,14β)-17-Cyanoandrosta-5,16-dien-3-yl acetate [ACD/IUPAC Name]
Acétate de (3α,8α,10α,13α)-17-cyanoandrosta-5,16-dién-3-yle [French] [ACD/IUPAC Name]
Acétate de (3β,8α,10α,13α,14β)-17-cyanoandrosta-5,16-dién-3-yle [French] [ACD/IUPAC Name]
Androsta-5,16-diene-17-carbonitrile, 3-(acetyloxy)-, (3α,8α,10α,13α)- [ACD/Index Name]
Androsta-5,16-diene-17-carbonitrile, 3-(acetyloxy)-, (3β,8α,10α,13α,14β)- [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: 457.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 227.7±15.5 °C
Index of Refraction: 1.556
Molar Refractivity: 96.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3535.95
ACD/KOC (pH 5.5): 12067.42
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3535.95
ACD/KOC (pH 7.4): 12067.42
Polar Surface Area: 50 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 301.1±5.0 cm3

Click to predict properties on the Chemicalize site


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