ChemSpider 2D Image | (17alpha)-17-Hydroxy-17-methyl(2,2,4,6,7-~2~H_5_)androsta-4,6-dien-3-one | C20H23D5O2

(17α)-17-Hydroxy-17-methyl(2,2,4,6,7-2H5)androsta-4,6-dien-3-one

  • Molecular FormulaC20H23D5O2
  • Average mass305.466 Da
  • Monoisotopic mass305.240326 Da
  • ChemSpider ID107444151
  • 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)-17-Hydroxy-17-methyl(2,2,4,6,7-2H5)androsta-4,6-dien-3-on [German] [ACD/IUPAC Name]
(17α)-17-Hydroxy-17-methyl(2,2,4,6,7-2H5)androsta-4,6-dien-3-one [ACD/IUPAC Name]
(17α)-17-Hydroxy-17-méthyl(2,2,4,6,7-2H5)androsta-4,6-dién-3-one [French] [ACD/IUPAC Name]
Androsta-4,6-dien-3-one-2,2,4,6,7-d5, 17-hydroxy-17-methyl-, (17α)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 450.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.8±6.0 kJ/mol
Flash Point: 191.9±21.3 °C
Index of Refraction: 1.572
Molar Refractivity: 87.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 150.16
ACD/KOC (pH 5.5): 1257.71
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 150.16
ACD/KOC (pH 7.4): 1257.71
Polar Surface Area: 37 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 266.3±5.0 cm3

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