ChemSpider 2D Image | 3-Hydroxy(16,16,17-~2~H_3_)estra-1(10),2,4-trien-17-yl acetate | C20H23D3O3

3-Hydroxy(16,16,17-2H3)estra-1(10),2,4-trien-17-yl acetate

  • Molecular FormulaC20H23D3O3
  • Average mass317.437 Da
  • Monoisotopic mass317.207031 Da
  • ChemSpider ID77499379

  • defined stereocentres - 4 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Hydroxy(16,16,17-2H3)estra-1(10),2,4-trien-17-yl acetate [ACD/IUPAC Name]
3-Hydroxy(16,16,17-2H3)estra-1(10),2,4-trien-17-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-hydroxy(16,16,17-2H3)estra-1(10),2,4-trién-17-yle [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-16,16,17-d3-3,17-diol, 17-acetate [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: 450.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 181.9±21.5 °C
Index of Refraction: 1.583
Molar Refractivity: 88.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1354.62
ACD/KOC (pH 5.5): 6072.27
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1352.77
ACD/KOC (pH 7.4): 6063.98
Polar Surface Area: 47 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 265.4±5.0 cm3

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