ChemSpider 2D Image | (8xi,9xi,13xi,14xi,17alpha)-17-Hydroxy-19-norpregn-5(10)-en-20-yn-3-one | C20H26O2

(8ξ,9ξ,13ξ,14ξ,17α)-17-Hydroxy-19-norpregn-5(10)-en-20-yn-3-one

  • Molecular FormulaC20H26O2
  • Average mass298.419 Da
  • Monoisotopic mass298.193268 Da
  • ChemSpider ID21499958

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

(8ξ,9ξ,13ξ,14ξ,17α)-17-Hydroxy-19-norpregn-5(10)-en-20-in-3-on [German] [ACD/IUPAC Name]
(8ξ,9ξ,13ξ,14ξ,17α)-17-Hydroxy-19-norpregn-5(10)-en-20-yn-3-one [ACD/IUPAC Name]
(8ξ,9ξ,13ξ,14ξ,17α)-17-Hydroxy-19-norprégn-5(10)-én-20-yn-3-one [French] [ACD/IUPAC Name]
Estr-5(10)-en-3-one, 17-ethynyl-17-hydroxy-, (17β)- [ACD/Index Name]
17-ETHYNYL-17-HYDROXY-13-METHYL-TETRADECAHYDRO-17H-CYCLOPENTA(A)PHENANTHREN3ONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 441.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±6.0 kJ/mol
Flash Point: 188.2±21.3 °C
Index of Refraction: 1.578
Molar Refractivity: 85.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 338.77
ACD/KOC (pH 5.5): 2251.69
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 338.77
ACD/KOC (pH 7.4): 2251.68
Polar Surface Area: 37 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 257.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement