ChemSpider 2D Image | (6alpha,11beta,13xi,16beta)-6,9-Difluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate | C26H32F2O7

(6α,11β,13ξ,16β)-6,9-Difluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate

  • Molecular FormulaC26H32F2O7
  • Average mass494.525 Da
  • Monoisotopic mass494.211609 Da
  • ChemSpider ID58817051
  • defined stereocentres - 8 of 9 defined stereocentres


More details:






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

(6α,11β,13ξ,16β)-6,9-Difluor-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17,21-diyl-diacetat [German] [ACD/IUPAC Name]
(6α,11β,13ξ,16β)-6,9-Difluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate [ACD/IUPAC Name]
Diacétate de (6α,11β,13ξ,16β)-6,9-difluoro-11-hydroxy-16-méthyl-3,20-dioxoprégna-1,4-diène-17,21-diyle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-6,9-difluoro-11-hydroxy-16-methyl-, (6α,11β,13ξ,16β)- [ACD/Index Name]
33564-31-7 [RN]
Diflorasone [Wiki]
Diflorasone diacetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 585.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.3±6.0 kJ/mol
Flash Point: 307.6±30.1 °C
Index of Refraction: 1.546
Molar Refractivity: 119.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.66
ACD/KOC (pH 5.5): 813.27
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.66
ACD/KOC (pH 7.4): 813.26
Polar Surface Area: 107 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 377.3±5.0 cm3

Click to predict properties on the Chemicalize site






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