N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}Methyl)-O-Methyl-L-Serine

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Properties Simple | Detailed

Formula C12H19N2O8P
IUPAC Name (2s)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-3-methoxy-propanoic acid
Molecular Mass 350.262 g·mol−1
Heat of Formation -1666.2 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 384.05 Å 3
Surface Area 334.99 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-3-methoxy-propanoic acid
  • (2s)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-3-methoxy-propionic acid
  • (2s)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-3-methoxypropanoic acid
  • (2s)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-methoxy-propanoic acid
  • (2s)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-methoxypropanoic acid
  • n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-o-methyl-l-serine
  • plv
  • pyridoxyl-(o-methyl-serine)-5-monophosphate
InChIKey DEHSEGNQBACQEW-JTQLQIEISA-N
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