ChemSpider 2D Image | (8alpha,9beta,13alpha,14beta)-3,4-Dihydroxy(1,2,16,16-~2~H_4_)estra-1,3,5(10)-trien-17-one | C18H18D4O3

(8α,9β,13α,14β)-3,4-Dihydroxy(1,2,16,16-2H4)estra-1,3,5(10)-trien-17-one

  • Molecular FormulaC18H18D4O3
  • Average mass290.390 Da
  • Monoisotopic mass290.182007 Da
  • ChemSpider ID78075956

  • 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

(8α,9β,13α,14β)-3,4-Dihydroxy(1,2,16,16-2H4)estra-1,3,5(10)-trien-17-on [German] [ACD/IUPAC Name]
(8α,9β,13α,14β)-3,4-Dihydroxy(1,2,16,16-2H4)estra-1,3,5(10)-trien-17-one [ACD/IUPAC Name]
(8α,9β,13α,14β)-3,4-Dihydroxy(1,2,16,16-2H4)estra-1,3,5(10)-trién-17-one [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-trien-17-one-1,2,16,16-d4, 3,4-dihydroxy-, (8α,9β,13α,14β)- [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: 468.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 251.1±25.2 °C
Index of Refraction: 1.610
Molar Refractivity: 79.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.90
ACD/KOC (pH 5.5): 850.27
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.54
ACD/KOC (pH 7.4): 846.78
Polar Surface Area: 58 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 230.6±3.0 cm3

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