ChemSpider 2D Image | (6beta,17beta)-6,17-Dihydroxy-17-(~2~H_3_)methylandrosta-1,4-dien-3-one | C20H25D3O3

(6β,17β)-6,17-Dihydroxy-17-(2H3)methylandrosta-1,4-dien-3-one

  • Molecular FormulaC20H25D3O3
  • Average mass319.453 Da
  • Monoisotopic mass319.222687 Da
  • ChemSpider ID58782137
  • 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

(6β,17β)-6,17-Dihydroxy-17-(2H3)methylandrosta-1,4-dien-3-on [German] [ACD/IUPAC Name]
(6β,17β)-6,17-Dihydroxy-17-(2H3)methylandrosta-1,4-dien-3-one [ACD/IUPAC Name]
Androsta-1,4-dien-3-one, 6,17-dihydroxy-17-(methyl-d3)-, (6β,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: 481.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 86.1±6.0 kJ/mol
Flash Point: 259.4±25.2 °C
Index of Refraction: 1.590
Molar Refractivity: 89.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 80.21
ACD/KOC (pH 5.5): 802.90
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 80.21
ACD/KOC (pH 7.4): 802.90
Polar Surface Area: 58 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 264.3±5.0 cm3

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