[[[(4-Formyl-5-Hydroxy-6-Methyl-3-Pyridyl)Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl] (4-Formyl-5-Hydroxy-6-Methyl-3-Pyridyl)Methyl Hydrogen Phosphate

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Properties Simple | Detailed

Formula C16H20N2O17P4
IUPAC Name [(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxy-hydroxy-phosphoryl] [[(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate
Molecular Mass 636.228 g·mol−1
Heat of Formation -4112.0 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 600.44 Å 3
Surface Area 412.05 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • (bispl)p4
  • [[[(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl hydrogen phosphate
  • [hydroxy-[hydroxy-[hydroxy-[(5-hydroxy-4-methanoyl-6-methyl-pyridin-3-yl)methoxy]phosphoryl]oxy-phosphoryl]oxy-phosphoryl] (5-hydroxy-4-methanoyl-6-methyl-pyridin-3-yl)methyl hydrogen phosphate
  • bispyridoxal tetraphosphate
  • tetraphosphoric acid, p,p'''-bis((4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl) ester
CAS Number(s)
  • 118446-89-2
InChIKey CLICQTRICXUYJH-UHFFFAOYSA-N
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