ChemSpider 2D Image | (8alpha,9beta,13alpha,14beta,17alpha)-3-Methoxy(16,16,17-~2~H_3_)estra-1(10),2,4-trien-17-ol | C19H23D3O2

(8α,9β,13α,14β,17α)-3-Methoxy(16,16,17-2H3)estra-1(10),2,4-trien-17-ol

  • Molecular FormulaC19H23D3O2
  • Average mass289.427 Da
  • Monoisotopic mass289.212097 Da
  • ChemSpider ID78075954

  • defined stereocentres - 5 of 5 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,17α)-3-Methoxy(16,16,17-2H3)estra-1(10),2,4-trien-17-ol [German] [ACD/IUPAC Name]
(8α,9β,13α,14β,17α)-3-Methoxy(16,16,17-2H3)estra-1(10),2,4-trien-17-ol [ACD/IUPAC Name]
(8α,9β,13α,14β,17α)-3-Méthoxy(16,16,17-2H3)estra-1(10),2,4-trién-17-ol [French] [ACD/IUPAC Name]
Estra-1(10),2,4-trien-16,16,17-d3-17-ol, 3-methoxy-, (8α,9β,13α,14β,17α)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 428.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 187.9±23.0 °C
Index of Refraction: 1.567
Molar Refractivity: 84.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 646.78
ACD/KOC (pH 5.5): 3577.18
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 646.78
ACD/KOC (pH 7.4): 3577.18
Polar Surface Area: 29 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 258.2±3.0 cm3

Click to predict properties on the Chemicalize site


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