6-Methoxy-1H-Indol-5-Yl β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C15H17NO8
IUPAC Name (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(6-methoxyindol-1-ium-5-yl)oxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 339.297 g·mol−1
Heat of Formation -1210.5 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 365.16 Å 3
Surface Area 316.83 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(6-methoxy-1h-indol-5-yl)oxy]-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(6-methoxy-1h-indol-5-yl)oxy]oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(6-methoxy-1h-indol-5-yl)oxy]tetrahydropyran-2-carboxylic acid
  • 5-h-6-mig
  • 5-hydroxy-6-methoxyindole glucuronide
  • beta-d-glucopyranosiduronic acid, 6-methoxy-1h-indol-5-yl
CAS Number(s)
  • 77463-71-9
InChIKey MLRMPLSCFCMXGJ-DKBOKBLXSA-N
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