S-{[4-(Aminomethyl)-5-Hydroxy-6-Methyl-3-Pyridinyl]Methyl} Dihydrogen Phosphorothioate

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Properties Simple | Detailed

Formula C8H13N2O4PS
IUPAC Name [4-(aminomethyl)-5-hydroxy-6-methyl-pyridin-1-ium-3-id-3-yl]methylsulfanylphosphonic acid
Molecular Mass 264.239 g·mol−1
Heat of Formation -922.3 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 286.05 Å 3
Surface Area 262.69 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
Synonyms
  • 3-pyridinol, 4-(aminomethyl)-2-methyl-5-((phosphonothio)methyl)-
  • 3-pyridinol, 4-(aminomethyl)-5-(mercaptomethyl)-2-methyl-, 5-phosphate (ester)
  • [4-(aminomethyl)-5-hydroxy-6-methyl-pyridin-3-yl]methylsulfanylphosphonic acid
  • [4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methylsulfanylphosphonic acid
  • [[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridyl]methylthio]phosphonic acid
  • phosphorothioic acid, s-((4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl)methyl) ester
  • pyridoxamine 5'-thiophosphate
  • pyridoxamine 5-thiophosphate
  • pyridoxamine-5-thiophosphate
CAS Number(s)
  • 51989-44-7
InChIKey VGHFYSJDLMQCRP-UHFFFAOYSA-N
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