8-(β-D-Glucopyranosyloxy)-4-Oxo-1,4-Dihydro-2-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C16H26NO9+
IUPAC Name 4-oxo-8-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,5,6,7-tetrahydro-1h-quinoline-2,3,4a,5,6,7,8,8a-octaide-2-carboxylic acid
Molecular Mass 376.379 g·mol−1
Heat of Formation -1431.2 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 393.7 Å 3
Surface Area 343.33 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
Synonyms
  • 2-quinolinecarboxylic acid, 8-(beta-d-glucopyranosyloxy)-4-hydroxy-
  • 4-keto-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1h-quinoline-2-carboxylic acid
  • 4-oxo-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1h-quinoline-2-carboxylic acid
  • 4-oxo-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1h-quinoline-2-carboxylic acid
  • 4-oxo-8-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1h-quinoline-2-carboxylic acid
  • 8-(beta-d-glucopyranosyloxy)-4-hydroxy-2-quinolinecarboxylic acid
  • cardinalic acid
  • xanthurenic acid 8-o-beta-d-glucoside
  • xanthurenic acid 8-o-glucoside
CAS Number(s)
  • 97451-32-6
InChIKey MYFHOUJDPFBJLH-RSQMQNDGSA-N
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