ChemSpider 2D Image | (3alpha,5beta,8alpha,9beta,10alpha,13alpha,14beta,17beta)-17-Cyano-17-hydroxyandrostan-3-yl acetate | C22H33NO3

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

  • Molecular FormulaC22H33NO3
  • Average mass359.502 Da
  • Monoisotopic mass359.246033 Da
  • ChemSpider ID109493000

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3α,5β,8α,9β,10α,13α,14β,17β)-17-Cyan-17-hydroxyandrostan-3-yl-acetat [German] [ACD/IUPAC Name]
(3α,5β,8α,9β,10α,13α,14β,17β)-17-Cyano-17-hydroxyandrostan-3-yl acetate [ACD/IUPAC Name]
Acétate de (3α,5β,8α,9β,10α,13α,14β,17β)-17-cyano-17-hydroxyandrostan-3-yle [French] [ACD/IUPAC Name]
Androstane-17-carbonitrile, 3-(acetyloxy)-17-hydroxy-, (3α,5β,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: 1.1±0.1 g/cm3
Boiling Point: 485.3±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.5±6.0 kJ/mol
Flash Point: 247.3±21.8 °C
Index of Refraction: 1.545
Molar Refractivity: 99.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 700.10
ACD/KOC (pH 5.5): 3785.88
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 699.99
ACD/KOC (pH 7.4): 3785.29
Polar Surface Area: 70 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 313.1±5.0 cm3

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