6-Chloro-1H-Indol-3-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C14H16ClNO6
IUPAC Name (2s,3r,4s,5s,6r)-2-(6-chloroindol-1-ium-3-yl)oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 329.733 g·mol−1
Heat of Formation -929.0 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 354.7 Å 3
Surface Area 314.49 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-[(6-chloro-1h-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(6-chloro-1h-indol-3-yl)oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(6-chloro-1h-indol-3-yl)oxy]-6-methylol-tetrahydropyran-3,4,5-triol
InChIKey OQWBAXBVBGNSPW-RKQHYHRCSA-N
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Elements H C N O Cl