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

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Properties Simple | Detailed

Formula C13H21N2O7P
IUPAC Name (2s)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]pentanoic acid
Molecular Mass 348.289 g·mol−1
Heat of Formation -1564.7 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 391.5 Å 3
Surface Area 344.51 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]pentanoic acid
  • (2s)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]valeric acid
  • (2s)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid
  • 2-[o-phosphonopyridoxyl]-amino-pentanoic acid
  • py5
  • vitamin b6 complexed with 2-amino-pentanoic acid
InChIKey YYAMSLLSQINIQO-NSHDSACASA-N
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