ChemSpider 2D Image | 3-[(~2~H_3_)Methyloxy]estra-2,5(10)-dien-17-one | C19H23D3O2

3-[(2H3)Methyloxy]estra-2,5(10)-dien-17-one

  • Molecular FormulaC19H23D3O2
  • Average mass289.427 Da
  • Monoisotopic mass289.212097 Da
  • ChemSpider ID58780607

  • 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-[(2H3)Methyloxy]estra-2,5(10)-dien-17-on [German] [ACD/IUPAC Name]
3-[(2H3)Methyloxy]estra-2,5(10)-dien-17-one [ACD/IUPAC Name]
3-[(2H3)Méthyloxy]estra-2,5(10)-dién-17-one [French] [ACD/IUPAC Name]
Estra-2,5(10)-dien-17-one, 3-(methyl-d3-oxy)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 435.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 187.1±22.3 °C
Index of Refraction: 1.556
Molar Refractivity: 82.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 426.23
ACD/KOC (pH 5.5): 2654.01
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 426.23
ACD/KOC (pH 7.4): 2654.01
Polar Surface Area: 26 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 257.7±5.0 cm3

Click to predict properties on the Chemicalize site


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