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

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Properties Simple | Detailed

Formula C11H17N2O7P
IUPAC Name (2r)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]propanoic acid
Molecular Mass 320.236 g·mol−1
Heat of Formation -1512.3 ± 16.7 kJ·mol−1
Dipole Moment 3.75 ± 1.08 D
Volume 351.72 Å 3
Surface Area 314.84 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]propanoic acid
  • (2r)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]propionic acid
  • (2r)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propanoic acid
  • n-(5'-phosphopyridoxyl)-d-alanine
InChIKey WACJCHFWJNNBPR-SSDOTTSWSA-N
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