ChemSpider 2D Image | (8alpha,9beta,10alpha,13alpha,14beta,17beta)-17-Cyano-17-hydroxyandrost-5-en-3-yl acetate | C22H31NO3

(8α,9β,10α,13α,14β,17β)-17-Cyano-17-hydroxyandrost-5-en-3-yl acetate

  • Molecular FormulaC22H31NO3
  • Average mass357.486 Da
  • Monoisotopic mass357.230408 Da
  • ChemSpider ID113598013

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(8α,9β,10α,13α,14β,17β)-17-Cyan-17-hydroxyandrost-5-en-3-yl-acetat [German] [ACD/IUPAC Name]
(8α,9β,10α,13α,14β,17β)-17-Cyano-17-hydroxyandrost-5-en-3-yl acetate [ACD/IUPAC Name]
Acétate de (8α,9β,10α,13α,14β,17β)-17-cyano-17-hydroxyandrost-5-én-3-yle [French] [ACD/IUPAC Name]
Androst-5-ene-17-carbonitrile, 3-(acetyloxy)-17-hydroxy-, (8α,9β,10α,13α,14β,17β)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 496.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.0±6.0 kJ/mol
Flash Point: 254.0±28.7 °C
Index of Refraction: 1.559
Molar Refractivity: 98.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 501.69
ACD/KOC (pH 5.5): 2982.47
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 501.61
ACD/KOC (pH 7.4): 2981.98
Polar Surface Area: 70 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 305.7±5.0 cm3

Click to predict properties on the Chemicalize site


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