ChemSpider 2D Image | (5beta,11beta,17alpha)-11,17,21-Trihydroxypregnane-3,20-dione | C21H32O5

(5β,11β,17α)-11,17,21-Trihydroxypregnane-3,20-dione

  • Molecular FormulaC21H32O5
  • Average mass364.476 Da
  • Monoisotopic mass364.224976 Da
  • ChemSpider ID114546993

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5β,11β,17α)-11,17,21-Trihydroxypregnan-3,20-dion [German] [ACD/IUPAC Name]
(5β,11β,17α)-11,17,21-Trihydroxypregnane-3,20-dione [ACD/IUPAC Name]
(5β,11β,17α)-11,17,21-Trihydroxyprégnane-3,20-dione [French] [ACD/IUPAC Name]
Pregnane-3,20-dione, 11,17,21-trihydroxy-, (5β,11β,17α)- [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: 544.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.6±6.0 kJ/mol
Flash Point: 297.1±26.6 °C
Index of Refraction: 1.570
Molar Refractivity: 95.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.55
ACD/KOC (pH 5.5): 161.74
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.55
ACD/KOC (pH 7.4): 161.74
Polar Surface Area: 95 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 291.8±3.0 cm3

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