ChemSpider 2D Image | 3-Hydroxy-4-[(~2~H_3_)methyloxy]estra-1,3,5(10)-trien-17-one | C19H21D3O3

3-Hydroxy-4-[(2H3)methyloxy]estra-1,3,5(10)-trien-17-one

  • Molecular FormulaC19H21D3O3
  • Average mass303.410 Da
  • Monoisotopic mass303.191376 Da
  • ChemSpider ID78075915

  • 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

3-Hydroxy-4-[(2H3)methyloxy]estra-1,3,5(10)-trien-17-on [German] [ACD/IUPAC Name]
3-Hydroxy-4-[(2H3)methyloxy]estra-1,3,5(10)-trien-17-one [ACD/IUPAC Name]
3-Hydroxy-4-[(2H3)méthyloxy]estra-1,3,5(10)-trién-17-one [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-trien-17-one, 3-hydroxy-4-(methyl-d3-oxy)- [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: 471.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 169.2±22.2 °C
Index of Refraction: 1.576
Molar Refractivity: 84.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 153.99
ACD/KOC (pH 5.5): 1280.58
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 153.78
ACD/KOC (pH 7.4): 1278.88
Polar Surface Area: 47 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 256.1±3.0 cm3

Click to predict properties on the Chemicalize site


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