ChemSpider 2D Image | (11beta,13xi)-11,17-Dihydroxy-21-(4-methyl-1-piperazinyl)pregna-1,4-diene-3,20-dione | C26H38N2O4

(11β,13ξ)-11,17-Dihydroxy-21-(4-methyl-1-piperazinyl)pregna-1,4-diene-3,20-dione

  • Molecular FormulaC26H38N2O4
  • Average mass442.591 Da
  • Monoisotopic mass442.283173 Da
  • ChemSpider ID58816635

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(11β,13ξ)-11,17-Dihydroxy-21-(4-methyl-1-piperazinyl)pregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(11β,13ξ)-11,17-Dihydroxy-21-(4-methyl-1-piperazinyl)pregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(11β,13ξ)-11,17-Dihydroxy-21-(4-méthyl-1-pipérazinyl)prégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-(4-methyl-1-piperazinyl)-, (11β,13ξ)- [ACD/Index Name]
13085-08-0 [RN]
mazipredone [INN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 614.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.5±6.0 kJ/mol
Flash Point: 325.1±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 122.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.90
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 6.23
ACD/KOC (pH 7.4): 106.80
Polar Surface Area: 81 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 351.9±5.0 cm3

Click to predict properties on the Chemicalize site


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