ChemSpider 2D Image | 3,6,17,21-Tetrahydroxypregnane-11,20-dione | C21H32O6

3,6,17,21-Tetrahydroxypregnane-11,20-dione

  • Molecular FormulaC21H32O6
  • Average mass380.475 Da
  • Monoisotopic mass380.219879 Da
  • ChemSpider ID95637196

More details:

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

3,6,17,21-Tetrahydroxypregnan-11,20-dion [German] [ACD/IUPAC Name]
3,6,17,21-Tetrahydroxypregnane-11,20-dione [ACD/IUPAC Name]
3,6,17,21-Tétrahydroxyprégnane-11,20-dione [French] [ACD/IUPAC Name]
Pregnane-11,20-dione, 3,6,17,21-tetrahydroxy- [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: 585.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.5±6.0 kJ/mol
Flash Point: 322.1±26.6 °C
Index of Refraction: 1.589
Molar Refractivity: 97.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.34
ACD/KOC (pH 5.5): 42.99
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.34
ACD/KOC (pH 7.4): 42.99
Polar Surface Area: 115 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 61.4±3.0 dyne/cm
Molar Volume: 288.8±3.0 cm3

Click to predict properties on the Chemicalize site


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