ChemSpider 2D Image | (6alpha,13xi)-17-Hydroxy-6-methylpregn-4-en-20-one | C22H34O2

(6α,13ξ)-17-Hydroxy-6-methylpregn-4-en-20-one

  • Molecular FormulaC22H34O2
  • Average mass330.504 Da
  • Monoisotopic mass330.255890 Da
  • ChemSpider ID58816950

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(6α,13ξ)-17-Hydroxy-6-methylpregn-4-en-20-on [German] [ACD/IUPAC Name]
(6α,13ξ)-17-Hydroxy-6-methylpregn-4-en-20-one [ACD/IUPAC Name]
(6α,13ξ)-17-Hydroxy-6-méthylprégn-4-én-20-one [French] [ACD/IUPAC Name]
Pregn-4-en-20-one, 17-hydroxy-6-methyl-, (6α,13ξ)- [ACD/Index Name]
2740-52-5 [RN]
anagestone [INN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 444.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±6.0 kJ/mol
Flash Point: 189.5±21.3 °C
Index of Refraction: 1.547
Molar Refractivity: 97.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 5358.49
ACD/KOC (pH 5.5): 16249.53
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 5358.48
ACD/KOC (pH 7.4): 16249.49
Polar Surface Area: 37 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 42.2±5.0 dyne/cm
Molar Volume: 306.0±5.0 cm3

Click to predict properties on the Chemicalize site


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