5-Methoxy-1H-Indol-6-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-(5-methoxyindol-1-ium-6-yl)oxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 339.297 g·mol−1
Heat of Formation -1206.5 ± 16.7 kJ·mol−1
Dipole Moment 4.98 ± 1.08 D
Volume 366.26 Å 3
Surface Area 317.05 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy 2.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(5-methoxy-1h-indol-6-yl)oxy]-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(5-methoxy-1h-indol-6-yl)oxy]oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(5-methoxy-1h-indol-6-yl)oxy]tetrahydropyran-2-carboxylic acid
  • 6-h-5-mig
  • 6-hydroxy-5-methoxyindole glucuronide
  • beta-d-glucopyranosiduronic acid, 5-methoxy-1h-indol-6-yl
CAS Number(s)
  • 77463-72-0
InChIKey NECCHCPFFUXUOB-DKBOKBLXSA-N
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