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

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Properties Simple | Detailed

Formula C11H17N2O8P
IUPAC Name (2s)-3-hydroxy-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]propanoic acid
Molecular Mass 336.235 g·mol−1
Heat of Formation -1676.6 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 364.35 Å 3
Surface Area 327.04 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-hydroxy-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]propanoic acid
  • (2s)-3-hydroxy-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]propionic acid
  • [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine
  • plp-ser
  • pls
  • pyridoxyl-serine-5-monophosphate
InChIKey ODVKKQWXKRZJLG-VIFPVBQESA-N
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