ChemSpider 2D Image | (8xi,9xi,10xi,13xi,14xi,16alpha)-3-Hydroxy-16-methyl-16,17-epoxypregn-5-en-20-one | C22H32O3

(8ξ,9ξ,10ξ,13ξ,14ξ,16α)-3-Hydroxy-16-methyl-16,17-epoxypregn-5-en-20-one

  • Molecular FormulaC22H32O3
  • Average mass344.488 Da
  • Monoisotopic mass344.235138 Da
  • ChemSpider ID22902724

  • defined stereocentres - 2 of 8 defined stereocentres

More details:

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

(8ξ,9ξ,10ξ,13ξ,14ξ,16α)-3-Hydroxy-16-methyl-16,17-epoxypregn-5-en-20-on [German] [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,13ξ,14ξ,16α)-3-Hydroxy-16-methyl-16,17-epoxypregn-5-en-20-one [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,13ξ,14ξ,16α)-3-Hydroxy-16-méthyl-16,17-époxyprégn-5-én-20-one [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 16,17-epoxy-3-hydroxy-16-methyl-, (8ξ,9ξ,10ξ,13ξ,14ξ,16α)- [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: 462.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.4±6.0 kJ/mol
Flash Point: 156.2±22.2 °C
Index of Refraction: 1.573
Molar Refractivity: 96.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 408.58
ACD/KOC (pH 5.5): 2574.86
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 408.58
ACD/KOC (pH 7.4): 2574.86
Polar Surface Area: 50 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 293.7±5.0 cm3

Click to predict properties on the Chemicalize site


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