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

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Properties Simple | Detailed

Formula C10H13N2O7P
IUPAC Name [[(e)-[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridylidene]methyl]amino] acetate
Molecular Mass 304.193 g·mol−1
Heat of Formation -1246.7 ± 16.7 kJ·mol−1
Dipole Moment 7.28 ± 1.08 D
Volume 318.36 Å 3
Surface Area 301.15 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -1.74 ± eV
Point Group Symmetry C1
Synonyms
  • 4-pyridinecarboxaldehyde, 3-hydroxy-2-methyl-5-((phosphonooxy)methyl)-, o-acetyloxime
  • 5-phosphopyridoxal-aminooxyacetate
  • 5-ppaop
  • [[(e)-[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridylidene]methyl]amino] acetate
  • [[(e)-[2-methyl-3-oxo-5-(phosphonooxymethyl)pyridin-4-ylidene]methyl]amino] acetate
  • [[(e)-[2-methyl-3-oxo-5-(phosphonooxymethyl)pyridin-4-ylidene]methyl]amino] ethanoate
  • acetic acid [[(e)-[2-methyl-3-oxo-5-(phosphonooxymethyl)-4-pyridylidene]methyl]amino] ester
  • acetic acid [[(e)-[3-keto-2-methyl-5-(phosphonooxymethyl)-4-pyridylidene]methyl]amino] ester
CAS Number(s)
  • 83351-95-5
InChIKey OJUPWBJQVMVQLT-RUDMXATFSA-N
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