ChemSpider 2D Image | (17beta)-17-Hydroxy(16,16,17-~2~H_3_)estra-4,9,11-trien-3-one | C18H19D3O2

(17β)-17-Hydroxy(16,16,17-2H3)estra-4,9,11-trien-3-one

  • Molecular FormulaC18H19D3O2
  • Average mass273.385 Da
  • Monoisotopic mass273.180817 Da
  • ChemSpider ID107448284

  • 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

(17β)-17-Hydroxy(16,16,17-2H3)estra-4,9,11-trien-3-on [German] [ACD/IUPAC Name]
(17β)-17-Hydroxy(16,16,17-2H3)estra-4,9,11-trien-3-one [ACD/IUPAC Name]
(17β)-17-Hydroxy(16,16,17-2H3)estra-4,9,11-trién-3-one [French] [ACD/IUPAC Name]
Estra-4,9,11-trien-3-one-16,16,17-d3, 17-hydroxy-, (17β)- [ACD/Index Name]
2026642-62-4 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 490.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.2±6.0 kJ/mol
Flash Point: 208.2±21.3 °C
Index of Refraction: 1.605
Molar Refractivity: 77.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 44.85
ACD/KOC (pH 5.5): 529.64
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 44.85
ACD/KOC (pH 7.4): 529.64
Polar Surface Area: 37 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 226.1±5.0 cm3

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