2-Iodobenzyl 4-O-β-D-Glucopyranosyl-1-Thio-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C19H27IO10S
IUPAC Name (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2-iodophenyl)methylsulfanyl]tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 574.381 g·mol−1
Heat of Formation -1684.8 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 537.61 Å 3
Surface Area 427.82 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2-iodophenyl)methylsulfanyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2-iodophenyl)methylsulfanyl]tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4r,5r,6s)-4,5-dihydroxy-6-[(2-iodobenzyl)thio]-2-methylol-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[[(2r,3s,4r,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2-iodophenyl)methylthio]-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • 2-iodobenzyl-1-thiocellobioside
  • ibtc ligand
  • o-iodobenzyl-1-thio-beta-cellobioside
CAS Number(s)
  • 130421-98-6
InChIKey JOXGWIRIPPTAJL-KQDSVYJTSA-N
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