ChemSpider 2D Image | 3-Hydroxy-4-methoxy(1,2,16,16-~2~H_4_)estra-1(10),2,4-trien-17-one | C19H20D4O3

3-Hydroxy-4-methoxy(1,2,16,16-2H4)estra-1(10),2,4-trien-17-one

  • Molecular FormulaC19H20D4O3
  • Average mass304.417 Da
  • Monoisotopic mass304.197662 Da
  • ChemSpider ID24533375

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Hydroxy-4-methoxy(1,2,16,16-2H4)estra-1(10),2,4-trien-17-on [German] [ACD/IUPAC Name]
3-Hydroxy-4-methoxy(1,2,16,16-2H4)estra-1(10),2,4-trien-17-one [ACD/IUPAC Name]
3-Hydroxy-4-méthoxy(1,2,16,16-2H4)estra-1(10),2,4-trién-17-one [French] [ACD/IUPAC Name]
Estra-1(10),2,4-trien-17-one-1,2,16,16-d4, 3-hydroxy-4-methoxy- [ACD/Index Name]
4-Methoxyestrone-1,2,16,16-d4

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


Advertisement