ChemSpider 2D Image | (6beta,16beta,17xi)-2-Bromo-6-fluoro-16-methyl-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl diacetate | C26H30BrFO6

(6β,16β,17ξ)-2-Bromo-6-fluoro-16-methyl-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl diacetate

  • Molecular FormulaC26H30BrFO6
  • Average mass537.415 Da
  • Monoisotopic mass536.120972 Da
  • ChemSpider ID84668

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(6β,16β,17ξ)-2-Brom-6-fluor-16-methyl-3,20-dioxopregna-1,4,9(11)-trien-17,21-diyl-diacetat [German] [ACD/IUPAC Name]
(6β,16β,17ξ)-2-Bromo-6-fluoro-16-methyl-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl diacetate [ACD/IUPAC Name]
Diacétate de (6β,16β,17ξ)-2-bromo-6-fluoro-16-méthyl-3,20-dioxoprégna-1,4,9(11)-triène-17,21-diyle [French] [ACD/IUPAC Name]
Pregna-1,4,9(11)-triene-3,20-dione, 17,21-bis(acetyloxy)-2-bromo-6-fluoro-16-methyl-, (6β,16β,17ξ)- [ACD/Index Name]
(6|A,16|A,17ξ)-2-bromo-6-fluoro-16-methyl-3,20-dioxopregna-1,4,9(11)-triene-17,21-diyl diacetate
2-bromo-6β-fluoro-17,21-dihydroxy-16β-methylpregna-1,4,9(11)-triene-3,20-dione 17,21-di(acetate)
595-32-4 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 605.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 320.2±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 125.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1462.72
ACD/KOC (pH 5.5): 6415.36
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1462.72
ACD/KOC (pH 7.4): 6415.36
Polar Surface Area: 87 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 380.3±5.0 cm3

Click to predict properties on the Chemicalize site


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