ChemSpider 2D Image | (8alpha,9beta,13alpha,14beta)-17-Oxo(6,6,7,7,9-~2~H_5_)estra-1(10),2,4-trien-3-yl acetate | C20H19D5O3

(8α,9β,13α,14β)-17-Oxo(6,6,7,7,9-2H5)estra-1(10),2,4-trien-3-yl acetate

  • Molecular FormulaC20H19D5O3
  • Average mass317.434 Da
  • Monoisotopic mass317.203918 Da
  • ChemSpider ID111310055

  • 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)-17-Oxo(6,6,7,7,9-2H5)estra-1(10),2,4-trien-3-yl acetate [ACD/IUPAC Name]
(8α,9β,13α,14β)-17-Oxo(6,6,7,7,9-2H5)estra-1(10),2,4-trien-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (8α,9β,13α,14β)-17-oxo(6,6,7,7,9-2H5)estra-1(10),2,4-trién-3-yle [French] [ACD/IUPAC Name]
Estra-1(10),2,4-trien-17-one-6,6,7,7,9-d5, 3-(acetyloxy)-, (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: 454.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 199.4±28.8 °C
Index of Refraction: 1.558
Molar Refractivity: 87.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 394.12
ACD/KOC (pH 5.5): 2509.33
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 394.12
ACD/KOC (pH 7.4): 2509.33
Polar Surface Area: 43 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 271.3±3.0 cm3

Click to predict properties on the Chemicalize site


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