ChemSpider 2D Image | (9xi,14xi,17xi)-19-Norpregna-1,3,5(10)-trien-20-yne-2,3,17-triol | C20H24O3

(9ξ,14ξ,17ξ)-19-Norpregna-1,3,5(10)-trien-20-yne-2,3,17-triol

  • Molecular FormulaC20H24O3
  • Average mass312.403 Da
  • Monoisotopic mass312.172546 Da
  • ChemSpider ID23976415
  • defined stereocentres - 2 of 5 defined stereocentres


More details:






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

(9ξ,14ξ,17ξ)-19-Norpregna-1,3,5(10)-trien-20-in-2,3,17-triol [German] [ACD/IUPAC Name]
(9ξ,14ξ,17ξ)-19-Norpregna-1,3,5(10)-trien-20-yne-2,3,17-triol [ACD/IUPAC Name]
(9ξ,14ξ,17ξ)-19-Norprégna-1,3,5(10)-trién-20-yne-2,3,17-triol [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-triene-2,3,17-triol, 17-ethynyl-, (9ξ,14ξ)- [ACD/Index Name]
(17a)-19-Norpregna-1,3,5(10)-trien-20-yne-2,3,17-triol
17a-Ethynyl-2-hydroxyestradiol
19-Nor-17a-pregna-1,3,5(10)-trien-20-yne-2,3,17-triol
2-Hydroxy Ethynyl Estradiol
50394-89-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 490.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 227.8±23.3 °C
Index of Refraction: 1.648
Molar Refractivity: 87.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 217.44
ACD/KOC (pH 5.5): 1639.36
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 216.61
ACD/KOC (pH 7.4): 1633.07
Polar Surface Area: 61 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 241.4±5.0 cm3

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