N-{(E)-[5-(Hydroxymethyl)-2-Methyl-3-Oxo-4(3H)-Pyridinylidene]Methyl}-L-Glutamic Acid

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Properties Simple | Detailed

Formula C13H16N2O6
IUPAC Name (2s)-2-[[(e)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methyl]amino]pentanedioic acid
Molecular Mass 296.276 g·mol−1
Heat of Formation -974.6 ± 16.7 kJ·mol−1
Dipole Moment 5.91 ± 1.08 D
Volume 337.23 Å 3
Surface Area 302.33 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(e)-(3-keto-2-methyl-5-methylol-4-pyridylidene)methyl]amino]glutaric acid
  • (2s)-2-[[(e)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methyl]amino]pentanedioic acid
  • (2s)-2-[[(e)-[5-(hydroxymethyl)-2-methyl-3-oxo-pyridin-4-ylidene]methyl]amino]pentanedioic acid
  • l-glutamic acid, n-((3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl)methylene)-
  • pyridoxyl glutamic acid
  • pyridoxylidene glutamate
  • pyridoxylideneglutamate
CAS Number(s)
  • 13934-03-7
  • 51148-03-9
  • 55619-52-8
InChIKey XKBXXIDGNQTCSE-CYNRKNSPSA-N
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