ChemSpider 2D Image | (8xi,9xi,14xi,16alpha,17xi)-11,16,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione | C21H28O6

(8ξ,9ξ,14ξ,16α,17ξ)-11,16,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione

  • Molecular FormulaC21H28O6
  • Average mass376.443 Da
  • Monoisotopic mass376.188599 Da
  • ChemSpider ID28424138

  • defined stereocentres - 3 of 8 defined stereocentres

More details:

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

(8ξ,9ξ,14ξ,16α,17ξ)-11,16,17,21-Tetrahydroxypregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(8ξ,9ξ,14ξ,16α,17ξ)-11,16,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(8ξ,9ξ,14ξ,16α,17ξ)-11,16,17,21-Tétrahydroxyprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 11,16,17,21-tetrahydroxy-, (8ξ,9ξ,14ξ,16α,17ξ)- [ACD/Index Name]
11b,16a,17a,21-Tetrahydroxypregna-1,4-diene-3,20-dione
16A-HYDROXY-PREDNISOLONE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 591.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.3±6.0 kJ/mol
Flash Point: 325.6±26.6 °C
Index of Refraction: 1.630
Molar Refractivity: 97.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.04
ACD/KOC (pH 5.5): 77.10
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.04
ACD/KOC (pH 7.4): 77.09
Polar Surface Area: 115 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 272.6±5.0 cm3

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