ChemSpider 2D Image | (8alpha,9beta,10alpha,11alpha,13alpha,14beta,17alpha)-11,21-Dihydroxypregna-1,4-diene-3,20-dione | C21H28O4

(8α,9β,10α,11α,13α,14β,17α)-11,21-Dihydroxypregna-1,4-diene-3,20-dione

  • Molecular FormulaC21H28O4
  • Average mass344.445 Da
  • Monoisotopic mass344.198761 Da
  • ChemSpider ID114553486

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(8α,9β,10α,11α,13α,14β,17α)-11,21-Dihydroxypregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(8α,9β,10α,11α,13α,14β,17α)-11,21-Dihydroxypregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(8α,9β,10α,11α,13α,14β,17α)-11,21-Dihydroxyprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 11,21-dihydroxy-, (8α,9β,10α,11α,13α,14β,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: 532.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.0±6.0 kJ/mol
Flash Point: 290.1±26.6 °C
Index of Refraction: 1.592
Molar Refractivity: 93.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.20
ACD/KOC (pH 5.5): 277.73
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.20
ACD/KOC (pH 7.4): 277.73
Polar Surface Area: 75 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 277.6±5.0 cm3

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