Bis[(4-Formyl-5-Hydroxy-6-Methyl-3-Pyridinyl)Methyl] Dihydrogen Diphosphate

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Properties Simple | Detailed

Formula C16H18N2O11P2
IUPAC Name [(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxy-hydroxy-phosphoryl] (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl hydrogen phosphate
Molecular Mass 476.268 g·mol−1
Heat of Formation -2296.9 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 502.07 Å 3
Surface Area 364.96 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
Synonyms
  • [(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxy-hydroxyphosphoryl] (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methyl hydrogen phosphate
  • [(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy-hydroxyphosphoryl] (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl hydrogen phosphate
  • [hydroxy-[(5-hydroxy-4-methanoyl-6-methyl-pyridin-3-yl)methoxy]phosphoryl] (5-hydroxy-4-methanoyl-6-methyl-pyridin-3-yl)methyl hydrogen phosphate
  • diphosphoric acid, p,p'-bis((4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl) ester
  • p(1),p(2)-bis(5'-pyridoxal)diphosphate
CAS Number(s)
  • 67279-83-8
InChIKey AUVUJYCKFHLZTM-UHFFFAOYSA-N
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