ChemSpider 2D Image | (8xi,9xi,10xi,11alpha,13xi,14xi)-11,17-Dihydroxypregn-4-ene-3,20-dione | C21H30O4

(8ξ,9ξ,10ξ,11α,13ξ,14ξ)-11,17-Dihydroxypregn-4-ene-3,20-dione

  • Molecular FormulaC21H30O4
  • Average mass346.461 Da
  • Monoisotopic mass346.214417 Da
  • ChemSpider ID22889274

  • defined stereocentres - 2 of 7 defined stereocentres

More details:

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

(8ξ,9ξ,10ξ,11α,13ξ,14ξ)-11,17-Dihydroxypregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,11α,13ξ,14ξ)-11,17-Dihydroxypregn-4-ene-3,20-dione [ACD/IUPAC Name]
(8ξ,9ξ,10ξ,11α,13ξ,14ξ)-11,17-Dihydroxyprégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 11,17-dihydroxy-, (8ξ,9ξ,10ξ,11α,13ξ,14ξ)- [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: 523.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.8±6.0 kJ/mol
Flash Point: 284.7±26.6 °C
Index of Refraction: 1.576
Molar Refractivity: 94.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 33.82
ACD/KOC (pH 5.5): 432.68
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 33.82
ACD/KOC (pH 7.4): 432.68
Polar Surface Area: 75 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 284.0±5.0 cm3

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