[(4-Formyl-5-Hydroxy-6-Methyl-3-Pyridinyl)Methyl]Phosphonic Acid

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Properties Simple | Detailed

Formula C8H10NO5P
IUPAC Name (4-formyl-5-hydroxy-6-methyl-3-pyridyl)methylphosphonic acid
Molecular Mass 231.142 g·mol−1
Heat of Formation -1037.4 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 246.01 Å 3
Surface Area 229.43 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methylphosphonic acid
  • (5-hydroxy-4-methanoyl-6-methyl-pyridin-3-yl)methylphosphonic acid
  • phosphonic acid, ((4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl)-
  • pyridoxal 5'-methylenephosphonate
CAS Number(s)
  • 26210-18-4
InChIKey MJHZPNZKADTPDP-UHFFFAOYSA-N
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