[2-(4-Formyl-5-Hydroxy-6-Methyl-3-Pyridinyl)Ethyl]Phosphonic Acid

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Properties Simple | Detailed

Formula C9H13NO5P
IUPAC Name 2-(4-formyl-5-hydroxy-6-methyl-pyridin-1-ium-3-id-3-yl)ethylphosphonic acid
Molecular Mass 246.177 g·mol−1
Heat of Formation -1040.6 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 269.43 Å 3
Surface Area 251.21 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (2-(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)ethyl)phosphonic acid
  • 2-(4-formyl-5-hydroxy-6-methylpyridin-3-yl)ethylphosphonic acid
  • 2-(5-hydroxy-4-methanoyl-6-methyl-pyridin-3-yl)ethylphosphonic acid
  • 5'-deoxypyridoxal 5'-methylenephosphonic acid
  • 5-ch2plp
  • phosphonic acid, (2-(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)ethyl)-
  • plp 5'-methylenephosphonic acid
  • plp 5'-mpa
CAS Number(s)
  • 19730-75-7
InChIKey LTUHULTYAHVJIP-UHFFFAOYSA-N
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