(2S,4Z,6E)-2-Amino-5-Hydroxy-7-{3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}-4,6-Heptadienoic Acid

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Properties Simple | Detailed

Formula C14H19N2O8P
IUPAC Name (2s,4z,6e)-2-amino-5-hydroxy-7-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]hepta-4,6-dienoic acid
Molecular Mass 374.283 g·mol−1
Heat of Formation -1587.9 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 412.95 Å 3
Surface Area 378.84 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 2.16 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4z,6e)-2-amino-5-hydroxy-7-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]hepta-4,6-dienoic acid
  • (2s,4z,6e)-2-amino-5-hydroxy-7-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]hepta-4,6-dienoic acid
  • 1-amino-7-(2-methyl-3-oxido-5-((phosphonoxy)methyl)-4-pyridoxal-5-oxo-6-heptenate
  • pfm
  • pyridoxylidene-propen-1-yl-3-alanine-5-phosphate
InChIKey FKVMVCAAQIJMAO-UGEYCXAUSA-N
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