ChemSpider 2D Image | (11alpha)-11,17,21-Trihydroxypregna-1,4,6-triene-3,20-dione | C21H26O5

(11α)-11,17,21-Trihydroxypregna-1,4,6-triene-3,20-dione

  • Molecular FormulaC21H26O5
  • Average mass358.428 Da
  • Monoisotopic mass358.178009 Da
  • ChemSpider ID128919404

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(11α)-11,17,21-Trihydroxypregna-1,4,6-trien-3,20-dion [German] [ACD/IUPAC Name]
(11α)-11,17,21-Trihydroxypregna-1,4,6-triene-3,20-dione [ACD/IUPAC Name]
(11α)-11,17,21-Trihydroxyprégna-1,4,6-triène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4,6-triene-3,20-dione, 11,17,21-trihydroxy-, (11α)- [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: 590.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 325.1±26.6 °C
Index of Refraction: 1.630
Molar Refractivity: 95.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.20
ACD/KOC (pH 5.5): 80.02
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.20
ACD/KOC (pH 7.4): 80.02
Polar Surface Area: 95 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 268.0±5.0 cm3

Click to predict properties on the Chemicalize site


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