ChemSpider 2D Image | (8alpha,13alpha,14beta,17alpha)-(16,16,17-~2~H_3_)Estra-1(10),2,4,9(11)-tetraene-3,17-diol | C18H19D3O2

(8α,13α,14β,17α)-(16,16,17-2H3)Estra-1(10),2,4,9(11)-tetraene-3,17-diol

  • Molecular FormulaC18H19D3O2
  • Average mass273.385 Da
  • Monoisotopic mass273.180817 Da
  • ChemSpider ID111311517

  • 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,13α,14β,17α)-(16,16,17-2H3)Estra-1(10),2,4,9(11)-tetraen-3,17-diol [German] [ACD/IUPAC Name]
(8α,13α,14β,17α)-(16,16,17-2H3)Estra-1(10),2,4,9(11)-tetraene-3,17-diol [ACD/IUPAC Name]
(8α,13α,14β,17α)-(16,16,17-2H3)Estra-1(10),2,4,9(11)-tétraène-3,17-diol [French] [ACD/IUPAC Name]
Estra-1(10),2,4,9(11)-tetraene-16,16,17-d3-3,17-diol, (8α,13α,14β,17α)- [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: 468.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 222.9±23.3 °C
Index of Refraction: 1.637
Molar Refractivity: 78.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 229.90
ACD/KOC (pH 5.5): 1706.09
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 229.68
ACD/KOC (pH 7.4): 1704.38
Polar Surface Area: 40 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 219.9±5.0 cm3

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