ChemSpider 2D Image | (6beta,8alpha,9beta,10alpha,11alpha,13alpha,14beta,17alpha)-11-Hydroxy-6-methylpregn-4-ene-3,20-dione | C22H32O3

(6β,8α,9β,10α,11α,13α,14β,17α)-11-Hydroxy-6-methylpregn-4-ene-3,20-dione

  • Molecular FormulaC22H32O3
  • Average mass344.488 Da
  • Monoisotopic mass344.235138 Da
  • ChemSpider ID68897726
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(6β,8α,9β,10α,11α,13α,14β,17α)-11-Hydroxy-6-methylpregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(6β,8α,9β,10α,11α,13α,14β,17α)-11-Hydroxy-6-methylpregn-4-ene-3,20-dione [ACD/IUPAC Name]
(6β,8α,9β,10α,11α,13α,14β,17α)-11-Hydroxy-6-méthylprégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 11-hydroxy-6-methyl-, (6β,8α,9β,10α,11α,13α,14β,17α)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 492.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.5±6.0 kJ/mol
Flash Point: 265.7±25.2 °C
Index of Refraction: 1.552
Molar Refractivity: 97.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.18
ACD/KOC (pH 5.5): 1129.30
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.18
ACD/KOC (pH 7.4): 1129.30
Polar Surface Area: 54 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 303.7±5.0 cm3

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