ChemSpider 2D Image | (8alpha,9beta,11beta,16beta)-11,17,21-Trihydroxy-16-methylpregn-4-ene-3,20-dione | C22H32O5

(8α,9β,11β,16β)-11,17,21-Trihydroxy-16-methylpregn-4-ene-3,20-dione

  • Molecular FormulaC22H32O5
  • Average mass376.487 Da
  • Monoisotopic mass376.224976 Da
  • ChemSpider ID62415850

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(8α,9β,11α,16α)-11,17,21-Trihydroxy-16-methylpregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(8α,9β,11α,16α)-11,17,21-Trihydroxy-16-methylpregn-4-ene-3,20-dione [ACD/IUPAC Name]
(8α,9β,11α,16α)-11,17,21-Trihydroxy-16-méthylprégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
(8α,9β,11β,16β)-11,17,21-Trihydroxy-16-methylpregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(8α,9β,11β,16β)-11,17,21-Trihydroxy-16-methylpregn-4-ene-3,20-dione [ACD/IUPAC Name]
(8α,9β,11β,16β)-11,17,21-Trihydroxy-16-méthylprégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-16-methyl-, (8α,9β,11α,16α)- [ACD/Index Name]
Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-16-methyl-, (8α,9β,11β,16β)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 568.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 98.0±6.0 kJ/mol
Flash Point: 311.5±26.6 °C
Index of Refraction: 1.587
Molar Refractivity: 100.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.27
ACD/KOC (pH 5.5): 289.29
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.27
ACD/KOC (pH 7.4): 289.29
Polar Surface Area: 95 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 298.2±5.0 cm3

Click to predict properties on the Chemicalize site


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