5-Bromo-1H-Indol-3-Yl 4-O-β-D-Glucopyranosyl-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C20H26BrNO11
IUPAC Name (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-6-[(5-bromo-1h-indol-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 536.325 g·mol−1
Heat of Formation -1789.5 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 536.59 Å 3
Surface Area 446.07 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-6-[(5-bromo-1h-indol-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-6-[(5-bromo-1h-indol-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-6-[(5-bromo-1h-indol-3-yl)oxy]-4,5-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[[(2r,3s,4r,5r,6s)-6-[(5-bromo-1h-indol-3-yl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • 5-bromoindoxyl-beta-cellobioside
  • beta-d-glucopyranoside, 5-bromo-1h-indol-3-yl 4-o-beta-d-glucopyranosyl-
  • bri-cellobioside
CAS Number(s)
  • 124613-91-8
InChIKey IKBQYGJTUJRMFW-NQXZFOFXSA-N
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