ChemSpider 2D Image | (11beta,16alpha)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxo(4,6,6,21,21-~2~H_5_)pregna-1,4-dien-21-yl dihydrogen phosphate | C22H25D5FO8P

(11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxo(4,6,6,21,21-2H5)pregna-1,4-dien-21-yl dihydrogen phosphate

  • Molecular FormulaC22H25D5FO8P
  • Average mass477.472 Da
  • Monoisotopic mass477.197601 Da
  • ChemSpider ID58793372
  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(11β,16α)-9-Fluor-11,17-dihydroxy-16-methyl-3,20-dioxo(4,6,6,21,21-2H5)pregna-1,4-dien-21-yldihydrogenphosphat [German] [ACD/IUPAC Name]
(11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxo(4,6,6,21,21-2H5)pregna-1,4-dien-21-yl dihydrogen phosphate [ACD/IUPAC Name]
Dihydrogénophosphate de (11β,16α)-9-fluoro-11,17-dihydroxy-16-méthyl-3,20-dioxo(4,6,6,21,21-2H5)prégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione-4,6,6,21,21-d5, 9-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, (11β,16α)- [ACD/Index Name]
MFCD00152787 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 669.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 358.7±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 110.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.65
ACD/LogD (pH 5.5): -3.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 324.9±5.0 cm3

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