ChemSpider 2D Image | (8alpha,17xi)-17-Hydroxy-7-methyl-19-norpregn-4-en-20-yn-3-one | C21H28O2

(8α,17ξ)-17-Hydroxy-7-methyl-19-norpregn-4-en-20-yn-3-one

  • Molecular FormulaC21H28O2
  • Average mass312.446 Da
  • Monoisotopic mass312.208923 Da
  • ChemSpider ID78429942

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(8α,17ξ)-17-Hydroxy-7-methyl-19-norpregn-4-en-20-in-3-on [German] [ACD/IUPAC Name]
(8α,17ξ)-17-Hydroxy-7-methyl-19-norpregn-4-en-20-yn-3-one [ACD/IUPAC Name]
(8α,17ξ)-17-Hydroxy-7-méthyl-19-norprégn-4-én-20-yn-3-one [French] [ACD/IUPAC Name]
Estr-4-en-3-one, 17-ethynyl-17-hydroxy-7-methyl-, (8α)- [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: 452.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.1±6.0 kJ/mol
Flash Point: 192.7±21.3 °C
Index of Refraction: 1.570
Molar Refractivity: 90.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 191.15
ACD/KOC (pH 5.5): 1494.90
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 191.15
ACD/KOC (pH 7.4): 1494.89
Polar Surface Area: 37 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 274.9±5.0 cm3

Click to predict properties on the Chemicalize site


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