N-(3-Methyl-3H-Imidazo[4,5-F]Quinolin-2-Yl)-β-D-Glucopyranuronosylamine

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Properties Simple | Detailed

Formula C17H18N4O6
IUPAC Name (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(3-methylimidazo[4,5-f]quinolin-3-ium-2-yl)amino]tetrahydropyran-2-carboxylic acid
Molecular Mass 374.348 g·mol−1
Heat of Formation -749.6 ± 16.7 kJ·mol−1
Dipole Moment 3.56 ± 1.08 D
Volume 406.6 Å 3
Surface Area 364.21 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(3-methyl-2-pyrido[3,2-e]benzimidazolyl)amino]-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(3-methylpyrido[3,2-e]benzimidazol-2-yl)amino]oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(3-methylpyrido[3,2-e]benzimidazol-2-yl)amino]tetrahydropyran-2-carboxylic acid
  • 2-amino-3-methylimidazo-(4,5-f)quinoline n-glucuronide
  • 2-iq-glucuronide
  • beta-d-glucopyranuronic acid, 1-deoxy-1-((3-methyl-3h-imidazo(4,5-f)quinolin-2-yl)amino)-
CAS Number(s)
  • 122719-39-5
InChIKey YLRCRCCBJUCMKF-SBJFKYEJSA-N
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