ChemSpider 2D Image | (17beta)-3-Oxoandrost-4-en-17-yl (~2~H_3_)acetate | C21H27D3O3

(17β)-3-Oxoandrost-4-en-17-yl (2H3)acetate

  • Molecular FormulaC21H27D3O3
  • Average mass333.480 Da
  • Monoisotopic mass333.238312 Da
  • ChemSpider ID58784516

  • 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

(2H3)Acétate de (17β)-3-oxoandrost-4-én-17-yle [French] [ACD/IUPAC Name]
(17β)-3-Oxoandrost-4-en-17-yl (2H3)acetate [ACD/IUPAC Name]
(17β)-3-Oxoandrost-4-en-17-yl-(2H3)acetat [German] [ACD/IUPAC Name]
Acetic-d3 acid, (17β)-3-oxoandrost-4-en-17-yl ester [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: 441.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 191.5±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: 4.37
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 574.83
ACD/KOC (pH 5.5): 3287.61
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 574.83
ACD/KOC (pH 7.4): 3287.61
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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