(4-Formyl-5-Methoxy-6-Methyl-3-Pyridinyl)Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C9H12NO6P
IUPAC Name (4-formyl-5-methoxy-6-methyl-3-pyridyl)methyl dihydrogen phosphate
Molecular Mass 261.168 g·mol−1
Heat of Formation -1219.4 ± 16.7 kJ·mol−1
Dipole Moment 1.35 ± 1.08 D
Volume 272.92 Å 3
Surface Area 252.33 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • (4-formyl-5-methoxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
  • (4-methanoyl-5-methoxy-6-methyl-pyridin-3-yl)methyl dihydrogen phosphate
  • 3'-o-methylpyridoxal 5'-phosphate
  • 3'-ompp
  • 4-pyridinecarboxaldehyde, 3-methoxy-2-methyl-5-((phosphonooxy)methyl)-
CAS Number(s)
  • 21056-63-3
InChIKey YTPKTKBXBZSMML-UHFFFAOYSA-N
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