ChemSpider 2D Image | (6beta,8xi,10xi,11beta)-2-Bromo-6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate | C25H29BrF2O7

(6β,8ξ,10ξ,11β)-2-Bromo-6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate

  • Molecular FormulaC25H29BrF2O7
  • Average mass559.394 Da
  • Monoisotopic mass558.106445 Da
  • ChemSpider ID8635826

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(6β,8ξ,10ξ,11β)-2-Brom-6,9-difluor-11-hydroxy-3,20-dioxopregna-1,4-dien-17,21-diyl-diacetat [German] [ACD/IUPAC Name]
(6β,8ξ,10ξ,11β)-2-Bromo-6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate [ACD/IUPAC Name]
Diacétate de (6β,8ξ,10ξ,11β)-2-bromo-6,9-difluoro-11-hydroxy-3,20-dioxoprégna-1,4-diène-17,21-diyle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-2-bromo-6,9-difluoro-11-hydroxy-, (6β,8ξ,10ξ,11β)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 620.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.4±6.0 kJ/mol
Flash Point: 329.1±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 122.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 148.45
ACD/KOC (pH 5.5): 1247.44
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 148.45
ACD/KOC (pH 7.4): 1247.43
Polar Surface Area: 107 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 373.5±5.0 cm3

Click to predict properties on the Chemicalize site


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