3-Hydroxy-5-[(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)Methyl]-2-Methylisonicotinic Acid

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Properties Simple | Detailed

Formula C8H12NO12P3
IUPAC Name 3-hydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]methyl]-2-methyl-pyridine-4-carboxylic acid
Molecular Mass 407.102 g·mol−1
Heat of Formation -3022.6 ± 16.7 kJ·mol−1
Dipole Moment 2.25 ± 1.08 D
Volume 378.43 Å 3
Surface Area 298.08 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • 3-hydroxy-5-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]methyl]-2-methyl-isonicotinic acid
  • 3-hydroxy-5-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]methyl]-2-methyl-pyridine-4-carboxylic acid
  • 3-hydroxy-5-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]methyl]-2-methyl-4-pyridinecarboxylic acid
  • pyridoxal triphosphate
  • triphosphoric acid, p-((4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl) ester
CAS Number(s)
  • 71510-36-6
InChIKey WFYHDHNXBXNRNK-UHFFFAOYSA-N
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