2-(4-Formyl-5-Hydroxy-6-Methyl-3-Pyridinyl)Ethyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C9H12NO6P
IUPAC Name 2-(4-formyl-5-hydroxy-6-methyl-3-pyridyl)ethyl dihydrogen phosphate
Molecular Mass 261.168 g·mol−1
Heat of Formation -1271.0 ± 16.7 kJ·mol−1
Dipole Moment 3.98 ± 1.08 D
Volume 279.06 Å 3
Surface Area 253.28 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-formyl-5-hydroxy-6-methylpyridin-3-yl)ethyl dihydrogen phosphate
  • 2-(5-hydroxy-4-methanoyl-6-methyl-pyridin-3-yl)ethyl dihydrogen phosphate
  • 4-pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-(2-(phosphonooxy)ethyl)-
  • 5-(2-phosphonoethyl)pyridoxal
CAS Number(s)
  • 32555-98-9
InChIKey GVRSVYHDOJKTBP-UHFFFAOYSA-N
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