ChemSpider 2D Image | 3-Hydroxy(6,6,7,7,9-~2~H_5_)estra-1(10),2,4-trien-17-one | C18H17D5O2

3-Hydroxy(6,6,7,7,9-2H5)estra-1(10),2,4-trien-17-one

  • Molecular FormulaC18H17D5O2
  • Average mass275.397 Da
  • Monoisotopic mass275.193359 Da
  • ChemSpider ID58785607

  • 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(6,6,7,7,9-2H5)estra-1(10),2,4-trien-17-on [German] [ACD/IUPAC Name]
3-Hydroxy(6,6,7,7,9-2H5)estra-1(10),2,4-trien-17-one [ACD/IUPAC Name]
3-Hydroxy(6,6,7,7,9-2H5)estra-1(10),2,4-trién-17-one [French] [ACD/IUPAC Name]
Estra-1(10),2,4-trien-17-one-6,6,7,7,9-d5, 3-hydroxy- [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: 445.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 189.7±21.3 °C
Index of Refraction: 1.587
Molar Refractivity: 78.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 216.53
ACD/KOC (pH 5.5): 1634.43
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 216.23
ACD/KOC (pH 7.4): 1632.15
Polar Surface Area: 37 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 232.1±3.0 cm3

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