ChemSpider 2D Image | (17alpha)-3-Oxo(16,16,17-~2~H_3_)androst-4-en-17-yl benzoate | C26H29D3O3

(17α)-3-Oxo(16,16,17-2H3)androst-4-en-17-yl benzoate

  • Molecular FormulaC26H29D3O3
  • Average mass395.549 Da
  • Monoisotopic mass395.253967 Da
  • ChemSpider ID107445392

  • 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

(17α)-3-Oxo(16,16,17-2H3)androst-4-en-17-yl benzoate [ACD/IUPAC Name]
(17α)-3-Oxo(16,16,17-2H3)androst-4-en-17-yl-benzoat [German] [ACD/IUPAC Name]
Androst-4-en-3-one-16,16,17-d3, 17-(benzoyloxy)-, (17α)- [ACD/Index Name]
Benzoate de (17α)-3-oxo(16,16,17-2H3)androst-4-én-17-yle [French] [ACD/IUPAC Name]
171199-95-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 522.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 224.8±30.2 °C
Index of Refraction: 1.583
Molar Refractivity: 112.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 6655.74
ACD/KOC (pH 5.5): 18977.34
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6655.74
ACD/KOC (pH 7.4): 18977.34
Polar Surface Area: 43 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 337.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement