ChemSpider 2D Image | (6alpha,17beta)-6,17-Dihydroxy(16,16,17-~2~H_3_)androst-4-en-3-one | C19H25D3O3

(6α,17β)-6,17-Dihydroxy(16,16,17-2H3)androst-4-en-3-one

  • Molecular FormulaC19H25D3O3
  • Average mass307.442 Da
  • Monoisotopic mass307.222687 Da
  • ChemSpider ID58782838

  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(6α,17β)-6,17-Dihydroxy(16,16,17-2H3)androst-4-en-3-on [German] [ACD/IUPAC Name]
(6α,17β)-6,17-Dihydroxy(16,16,17-2H3)androst-4-en-3-one [ACD/IUPAC Name]
(6α,17β)-6,17-Dihydroxy(16,16,17-2H3)androst-4-én-3-one [French] [ACD/IUPAC Name]
Androst-4-en-3-one-16,16,17-d3, 6,17-dihydroxy-, (6α,17β)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 479.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.8±6.0 kJ/mol
Flash Point: 258.1±25.2 °C
Index of Refraction: 1.578
Molar Refractivity: 84.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.77
ACD/KOC (pH 5.5): 404.37
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.77
ACD/KOC (pH 7.4): 404.37
Polar Surface Area: 58 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 50.2±5.0 dyne/cm
Molar Volume: 255.0±5.0 cm3

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