ChemSpider 2D Image | [5-Hydroxy-4-({[6-(3-hydroxypropyl)-2-oxo-1,2-dihydro-3-pyridinyl]amino}methyl)-6-methyl-3-pyridinyl]methyl dihydrogen phosphate | C16H22N3O7P

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

  • Molecular FormulaC16H22N3O7P
  • Average mass399.336 Da
  • Monoisotopic mass399.119537 Da
  • ChemSpider ID26328596

More details:

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

[5-Hydroxy-4-({[6-(3-hydroxypropyl)-2-oxo-1,2-dihydro-3-pyridinyl]amino}methyl)-6-methyl-3-pyridinyl]methyl dihydrogen phosphate [ACD/IUPAC Name]
[5-Hydroxy-4-({[6-(3-hydroxypropyl)-2-oxo-1,2-dihydro-3-pyridinyl]amino}methyl)-6-methyl-3-pyridinyl]methyldihydrogenphosphat [German] [ACD/IUPAC Name]
[5-Hydroxy-4-({[6-(3-Hydroxypropyl)-2-Oxo-1,2-Dihydropyridin-3-Yl]amino}methyl)-6-Methylpyridin-3-Yl]methyl Dihydrogen Phosphate
2(1H)-Pyridinone, 3-[[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]amino]-6-(3-hydroxypropyl)- [ACD/Index Name]
Dihydrogénophosphate de [5-hydroxy-4-({[6-(3-hydroxypropyl)-2-oxo-1,2-dihydro-3-pyridinyl]amino}méthyl)-6-méthyl-3-pyridinyl]méthyle [French] [ACD/IUPAC Name]
PL8

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 94.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.26
ACD/LogD (pH 5.5): -5.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 83.3±5.0 dyne/cm
Molar Volume: 262.9±5.0 cm3

Click to predict properties on the Chemicalize site


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