ChemSpider 2D Image | (3beta)-17-Oxo(7,7-~2~H_2_)androst-5-en-3-yl acetate | C21H28D2O3

(3β)-17-Oxo(7,7-2H2)androst-5-en-3-yl acetate

  • Molecular FormulaC21H28D2O3
  • Average mass332.473 Da
  • Monoisotopic mass332.232056 Da
  • ChemSpider ID8490195

  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3β)-17-Oxo(7,7-2H2)androst-5-en-3-yl acetate [ACD/IUPAC Name]
(3β)-17-Oxo(7,7-2H2)androst-5-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β)-17-oxo(7,7-2H2)androst-5-én-3-yle [French] [ACD/IUPAC Name]
Androst-5-en-17-one-7,7-d2, 3-(acetyloxy)-, (3β)- [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: 434.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 188.1±28.8 °C
Index of Refraction: 1.541
Molar Refractivity: 92.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 745.66
ACD/KOC (pH 5.5): 3960.65
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 745.66
ACD/KOC (pH 7.4): 3960.65
Polar Surface Area: 43 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 295.0±5.0 cm3

Click to predict properties on the Chemicalize site


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