ChemSpider 2D Image | [(5S)-3-{3-Fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate | C17H16FN6O6P

[(5S)-3-{3-Fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate

  • Molecular FormulaC17H16FN6O6P
  • Average mass450.318 Da
  • Monoisotopic mass450.085297 Da
  • ChemSpider ID114812566

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(5S)-3-{3-Fluor-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
[(5S)-3-{3-Fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate [ACD/IUPAC Name]
2-Oxazolidinone, 3-[3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(phosphonooxy)methyl]-, (5S)- [ACD/Index Name]
Dihydrogénophosphate de [(5S)-3-{3-fluoro-4-[6-(2-méthyl-2H-tétrazol-5-yl)-3-pyridinyl]phényl}-2-oxo-1,3-oxazolidin-5-yl]méthyle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 725.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 392.6±35.7 °C
Index of Refraction: 1.739
Molar Refractivity: 103.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.69
ACD/LogD (pH 5.5): -2.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 78.4±7.0 dyne/cm
Molar Volume: 257.0±7.0 cm3

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