ChemSpider 2D Image | (6alpha,11beta,13xi,16alpha)-6-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate | C22H30FO8P

(6α,11β,13ξ,16α)-6-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate

  • Molecular FormulaC22H30FO8P
  • Average mass472.441 Da
  • Monoisotopic mass472.166229 Da
  • ChemSpider ID58816184

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(6α,11β,13ξ,16α)-6-Fluor-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yldihydrogenphosphat [German] [ACD/IUPAC Name]
(6α,11β,13ξ,16α)-6-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate [ACD/IUPAC Name]
Dihydrogénophosphate de (6α,11β,13ξ,16α)-6-fluoro-11,17-dihydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 6-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, (6α,11β,13ξ,16α)- [ACD/Index Name]
16562-18-8 [RN]
PREGNA-1,4-DIENE-3,20-DIONE,6-FLUORO-11,17-DIHYDROXY-16-METHYL-21-(PHOSPHONOOXY)-, (6A,11B,16A)- (9CI)

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

Density: 1.5±0.1 g/cm3
Boiling Point: 674.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.4±6.0 kJ/mol
Flash Point: 361.9±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 110.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.31
ACD/LogD (pH 5.5): -3.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.33
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: 63.9±5.0 dyne/cm
Molar Volume: 325.7±5.0 cm3

Click to predict properties on the Chemicalize site


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