1H-Imidazo(4,5-C)Pyridine-4-Propanoic Acid, 4,6-Dicarboxy-4,5,6,7-Tetrahydro-, (4S-Trans)-

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Formula C11H13N3O6
IUPAC Name (4s,6s)-4-(2-carboxyethyl)-6,7-dihydro-5h-imidazo[4,5-c]pyridin-1-ium-7a-ylium-4,6-dicarboxylic acid
Molecular Mass 283.237 g·mol−1
Heat of Formation -977.5 ± 16.7 kJ·mol−1
Dipole Moment 6.33 ± 1.08 D
Volume 307.36 Å 3
Surface Area 271.97 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,6s)-4-(2-carboxyethyl)-1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,6-dicarboxylic acid
  • cucumopine
CAS Number(s)
  • 110342-24-0
InChIKey XGCZNSAJOHDWQS-KGFZYKRKSA-N
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