ChemSpider 2D Image | (5-Hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-1,2-dihydro-3-quinolinyl)amino]methyl}-6-methyl-3-pyridinyl)methyl dihydrogen phosphate | C23H22N3O8P

(5-Hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-1,2-dihydro-3-quinolinyl)amino]methyl}-6-methyl-3-pyridinyl)methyl dihydrogen phosphate

  • Molecular FormulaC23H22N3O8P
  • Average mass499.410 Da
  • Monoisotopic mass499.114441 Da
  • ChemSpider ID35033372

More details:

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

(5-Hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-1,2-dihydro-3-chinolinyl)amino]methyl}-6-methyl-3-pyridinyl)methyldihydrogenphosphat [German] [ACD/IUPAC Name]
(5-Hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-1,2-dihydro-3-quinolinyl)amino]methyl}-6-methyl-3-pyridinyl)methyl dihydrogen phosphate [ACD/IUPAC Name]
(5-hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate
2(1H)-Quinolinone, 1-hydroxy-3-[[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]amino]-6-phenoxy- [ACD/Index Name]
Dihydrogénophosphate de (5-hydroxy-4-{[(1-hydroxy-2-oxo-6-phénoxy-1,2-dihydro-3-quinoléinyl)amino]méthyl}-6-méthyl-3-pyridinyl)méthyle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 866.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.9±3.0 kJ/mol
Flash Point: 477.7±37.1 °C
Index of Refraction: 1.727
Molar Refractivity: 123.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.07
ACD/LogD (pH 5.5): -2.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 96.7±5.0 dyne/cm
Molar Volume: 310.1±5.0 cm3

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