2-{[2-(α-L-Glucopyranosyloxy)-5-Hydroxybenzoyl]Amino}-5-Hydroxybenzoic Acid

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Properties Simple | Detailed

Formula C20H21NO11
IUPAC Name 5-hydroxy-2-[[5-hydroxy-2-[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoyl]amino]benzoic acid
Molecular Mass 451.381 g·mol−1
Heat of Formation -1846.7 ± 16.7 kJ·mol−1
Dipole Moment 2.22 ± 1.08 D
Volume 485.53 Å 3
Surface Area 362.56 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-carboxy-4',5-dihydroxy-2beta-d-glucopyranosyloxybenzanilide
  • 5-hydroxy-2-[[5-hydroxy-2-[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]carbonylamino]benzoic acid
  • 5-hydroxy-2-[[5-hydroxy-2-[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]amino]benzoic acid
  • 5-hydroxy-2-[[5-hydroxy-2-[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzoyl]amino]benzoic acid
  • 5-hydroxy-2-[[5-hydroxy-2-[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzoyl]amino]benzoic acid
  • 5-hydroxy-2-[[[5-hydroxy-2-[[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-oxomethyl]amino]benzoic acid
  • benzoic acid, 2-((2-(beta-d-glucopyranosyloxy)-5-hydroxybenzoyl)amino)-5-hydroxy-
  • yokonoside
CAS Number(s)
  • 53823-12-4
InChIKey UQULZPHAPMSIMX-SAGLZJIZSA-N
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