N-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}Methyl)-D-Glutamic Acid

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Properties Simple | Detailed

Formula C13H19N2O9P
IUPAC Name (2r)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]pentanedioic acid
Molecular Mass 378.272 g·mol−1
Heat of Formation -1933.1 ± 16.7 kJ·mol−1
Dipole Moment 6.05 ± 1.08 D
Volume 408.3 Å 3
Surface Area 358.13 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanedioic acid
  • n-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-d-glutamic acid
  • n-pyridoxyl-d-glutamic acid-5'-monophosphate
  • pdg
InChIKey JMRKOGDJNHPMHS-SNVBAGLBSA-N
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