ChemSpider 2D Image | (8alpha,10alpha,11beta,16beta)-9-Fluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-diene-16,21-diyl diacetate | C25H31FO8

(8α,10α,11β,16β)-9-Fluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-diene-16,21-diyl diacetate

  • Molecular FormulaC25H31FO8
  • Average mass478.507 Da
  • Monoisotopic mass478.200287 Da
  • ChemSpider ID62694624

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(8α,10α,11β,16β)-9-Fluor-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-16,21-diyl-diacetat [German] [ACD/IUPAC Name]
(8α,10α,11β,16β)-9-Fluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-diene-16,21-diyl diacetate [ACD/IUPAC Name]
(8α,9β,11β,16α,17α)-9-Fluor-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-16,21-diyl-diacetat [German] [ACD/IUPAC Name]
(8α,9β,11β,16α,17α)-9-Fluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-diene-16,21-diyl diacetate [ACD/IUPAC Name]
Diacétate de (8α,10α,11β,16β)-9-fluoro-11,17-dihydroxy-3,20-dioxoprégna-1,4-diène-16,21-diyle [French] [ACD/IUPAC Name]
Diacétate de (8α,9β,11β,16α,17α)-9-fluoro-11,17-dihydroxy-3,20-dioxoprégna-1,4-diène-16,21-diyle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 16,21-bis(acetyloxy)-9-fluoro-11,17-dihydroxy-, (8α,10α,11β,16β)- [ACD/Index Name]
Pregna-1,4-diene-3,20-dione, 16,21-bis(acetyloxy)-9-fluoro-11,17-dihydroxy-, (8α,9β,11β,16α,17α)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 608.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.7±6.0 kJ/mol
Flash Point: 321.8±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 116.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.52
ACD/KOC (pH 5.5): 353.70
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.51
ACD/KOC (pH 7.4): 353.64
Polar Surface Area: 127 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 352.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement