ChemSpider 2D Image | [(4Z)-5-Hydroxy-4-{[(E)-isonicotinoyldiazenyl]methylene}-6-methyl-1,4-dihydro-3-pyridinyl]methyl dihydrogen phosphate | C14H15N4O6P

[(4Z)-5-Hydroxy-4-{[(E)-isonicotinoyldiazenyl]methylene}-6-methyl-1,4-dihydro-3-pyridinyl]methyl dihydrogen phosphate

  • Molecular FormulaC14H15N4O6P
  • Average mass366.266 Da
  • Monoisotopic mass366.072906 Da
  • ChemSpider ID35034785
  • Double-bond stereo - Double-bond stereo


More details:






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

[(4Z)-5-Hydroxy-4-{[(E)-isonicotinoyldiazenyl]methylen}-6-methyl-1,4-dihydro-3-pyridinyl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
[(4Z)-5-Hydroxy-4-{[(E)-isonicotinoyldiazenyl]methylene}-6-methyl-1,4-dihydro-3-pyridinyl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[(4z)-5-Hydroxy-6-Methyl-4-{[(E)-(Pyridin-4-Ylcarbonyl)diazenyl]methylidene}-1,4-Dihydropyridin-3-Yl]methyl Dihydrogen Phosphate
Dihydrogénophosphate de [(4Z)-5-hydroxy-4-{[(E)-isonicotinoyldiazényl]méthylène}-6-méthyl-1,4-dihydro-3-pyridinyl]méthyle [French] [ACD/IUPAC Name]
Methanone, [(E)-2-[(Z)-[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4(1H)-pyridinylidene]methyl]diazenyl]-4-pyridinyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 545.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 283.7±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 86.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.50
ACD/LogD (pH 5.5): -4.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 72.0±7.0 dyne/cm
Molar Volume: 232.3±7.0 cm3

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