ChemSpider 2D Image | (17beta)-3-Oxo(16,16,17-~2~H_3_)androst-4-en-17-yl 3-phenylpropanoate | C28H33D3O3

(17β)-3-Oxo(16,16,17-2H3)androst-4-en-17-yl 3-phenylpropanoate

  • Molecular FormulaC28H33D3O3
  • Average mass423.602 Da
  • Monoisotopic mass423.285278 Da
  • ChemSpider ID62916091

  • 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

(17β)-3-Oxo(16,16,17-2H3)androst-4-en-17-yl 3-phenylpropanoate [ACD/IUPAC Name]
(17β)-3-Oxo(16,16,17-2H3)androst-4-en-17-yl-3-phenylpropanoat [German] [ACD/IUPAC Name]
3-Phénylpropanoate de (17β)-3-oxo(16,16,17-2H3)androst-4-én-17-yle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, (17β)-3-oxoandrost-4-en-17-yl-16,16,17-d3 ester [ACD/Index Name]
876054-55-6 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 546.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 233.3±30.2 °C
Index of Refraction: 1.574
Molar Refractivity: 122.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 5.63
ACD/BCF (pH 5.5): 11200.40
ACD/KOC (pH 5.5): 27544.20
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11200.40
ACD/KOC (pH 7.4): 27544.20
Polar Surface Area: 43 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 369.9±5.0 cm3

Click to predict properties on the Chemicalize site


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