ChemSpider 2D Image | (9xi,14xi,17xi)-17,21-Dihydroxy-16-methylpregna-1,4-diene-3,11,20-trione | C22H28O5

(9ξ,14ξ,17ξ)-17,21-Dihydroxy-16-methylpregna-1,4-diene-3,11,20-trione

  • Molecular FormulaC22H28O5
  • Average mass372.455 Da
  • Monoisotopic mass372.193665 Da
  • ChemSpider ID29787424
  • defined stereocentres - 3 of 7 defined stereocentres


More details:






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

(9ξ,14ξ,17ξ)-17,21-Dihydroxy-16-methylpregna-1,4-dien-3,11,20-trion [German] [ACD/IUPAC Name]
(9ξ,14ξ,17ξ)-17,21-Dihydroxy-16-methylpregna-1,4-diene-3,11,20-trione [ACD/IUPAC Name]
(9ξ,14ξ,17ξ)-17,21-Dihydroxy-16-méthylprégna-1,4-diène-3,11,20-trione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-16-methyl-, (9ξ,14ξ,17ξ)- [ACD/Index Name]
(16a)-17,21-dihydroxy-16-methyl-pregna-1,4-diene-3,11,20-trione
16a-Methyl-11-oxo prednisolone
2036-77-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 574.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.8±6.0 kJ/mol
Flash Point: 315.2±26.6 °C
Index of Refraction: 1.595
Molar Refractivity: 98.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.30
ACD/KOC (pH 5.5): 267.77
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.30
ACD/KOC (pH 7.4): 267.76
Polar Surface Area: 92 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 290.4±5.0 cm3

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