1-O-(1H-Indol-3-Ylacetyl)-β-D-Glucopyranose

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Properties Simple | Detailed

Formula C16H19NO7
IUPAC Name [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 2-indol-1-ium-3-ylacetate
Molecular Mass 337.325 g·mol−1
Heat of Formation -1103.9 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 381.86 Å 3
Surface Area 338.23 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • 1-o-indol-3-ylacetyl-beta-d-glucose
  • 1-o-indol-3-ylacetylglucose
  • 2-(1h-indol-3-yl)acetic acid [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl] ester
  • 2-(1h-indol-3-yl)acetic acid [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1h-indol-3-yl)acetate
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-(1h-indol-3-yl)ethanoate
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 2-(1h-indol-3-yl)acetate
  • beta-d-glucopyranose, 1-(1h-indole-3-acetate)
  • iaa-glucose
  • indole-3-acetyl-beta-1-d-glucoside
CAS Number(s)
  • 19817-95-9
InChIKey HHDMMUWDSFASNB-JZYAIQKZSA-N
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