ChemSpider 2D Image | (17beta)-17-Hydroxy-17-(~2~H_3_)methylestra-4,9-dien-3-one | C19H23D3O2

(17β)-17-Hydroxy-17-(2H3)methylestra-4,9-dien-3-one

  • Molecular FormulaC19H23D3O2
  • Average mass289.427 Da
  • Monoisotopic mass289.212097 Da
  • ChemSpider ID107442340

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(17β)-17-Hydroxy-17-(2H3)methylestra-4,9-dien-3-on [German] [ACD/IUPAC Name]
(17β)-17-Hydroxy-17-(2H3)methylestra-4,9-dien-3-one [ACD/IUPAC Name]
(17β)-17-Hydroxy-17-(2H3)méthylestra-4,9-dién-3-one [French] [ACD/IUPAC Name]
Estra-4,9-dien-3-one, 17-hydroxy-17-(methyl-d3)-, (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: 464.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.7±6.0 kJ/mol
Flash Point: 197.5±21.3 °C
Index of Refraction: 1.578
Molar Refractivity: 82.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 306.45
ACD/KOC (pH 5.5): 2095.76
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 306.45
ACD/KOC (pH 7.4): 2095.76
Polar Surface Area: 37 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 248.8±5.0 cm3

Click to predict properties on the Chemicalize site


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