1-[({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}Methyl)Amino]Cyclopropanecarboxylic Acid

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Properties Simple | Detailed

Formula C12H17N2O7P
IUPAC Name 1-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]cyclopropanecarboxylic acid
Molecular Mass 332.246 g·mol−1
Heat of Formation -1437.6 ± 16.7 kJ·mol−1
Dipole Moment 1.45 ± 1.08 D
Volume 359.59 Å 3
Surface Area 299.5 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-1-cyclopropanecarboxylic acid
  • 1-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]cyclopropane-1-carboxylic acid
  • 1-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclopropane-1-carboxylic acid
  • 5pa
  • n-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-y-lmethyl]-1-amino-cyclopropanecarboxylic acid
  • n-pyridoxyl-1-amino-cyclopropanecarboxylic acid-5-monophosphate
  • plp-1ac
InChIKey ZMHRUAWWUAOOQN-UHFFFAOYSA-N
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