ChemSpider 2D Image | (17beta)-2-Methyl(16,16,17-~2~H_3_)estra-1,3,5(10)-triene-3,17-diol | C19H23D3O2

(17β)-2-Methyl(16,16,17-2H3)estra-1,3,5(10)-triene-3,17-diol

  • Molecular FormulaC19H23D3O2
  • Average mass289.427 Da
  • Monoisotopic mass289.212097 Da
  • ChemSpider ID58783236

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(17β)-2-Methyl(16,16,17-2H3)estra-1,3,5(10)-trien-3,17-diol [German] [ACD/IUPAC Name]
(17β)-2-Methyl(16,16,17-2H3)estra-1,3,5(10)-triene-3,17-diol [ACD/IUPAC Name]
(17β)-2-Méthyl(16,16,17-2H3)estra-1,3,5(10)-triène-3,17-diol [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-triene-16,16,17-d3-3,17-diol, 2-methyl-, (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: 451.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 209.2±23.3 °C
Index of Refraction: 1.593
Molar Refractivity: 84.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 613.90
ACD/KOC (pH 5.5): 3446.03
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 613.55
ACD/KOC (pH 7.4): 3444.09
Polar Surface Area: 40 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 248.9±3.0 cm3

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