{(4E)-4-[(2-Carbamoylhydrazino)Methylene]-6-Methyl-5-Oxo-4,5-Dihydro-3-Pyridinyl}Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C9H13N4O6P
IUPAC Name [(4e)-4-[(2-carbamoylhydrazino)methylene]-6-methyl-5-oxo-3-pyridyl]methyl dihydrogen phosphate
Molecular Mass 304.196 g·mol−1
Heat of Formation -1113.3 ± 16.7 kJ·mol−1
Dipole Moment 6.46 ± 1.08 D
Volume 320.66 Å 3
Surface Area 290.4 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • [(4e)-4-[(2-aminocarbonylhydrazinyl)methylidene]-6-methyl-5-oxo-pyridin-3-yl]methyl dihydrogen phosphate
  • [(4e)-4-[(2-carbamoylhydrazinyl)methylidene]-6-methyl-5-oxopyridin-3-yl]methyl dihydrogen phosphate
  • [(4e)-4-[(n'-carbamoylhydrazino)methylene]-6-methyl-5-oxo-3-pyridyl]methyl dihydrogen phosphate
  • [(4e)-5-keto-6-methyl-4-(semicarbazidomethylene)-3-pyridyl]methyl dihydrogen phosphate
  • hydrazinecarboxamide, 2-((3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methylene)-
  • pyridoxal-5-phosphate semicarbazone
CAS Number(s)
  • 634-27-5
InChIKey WDJUCMQMQRFFCB-XVNBXDOJSA-N
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