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Substance Name: 2-Iodobenzyl-1-thiocellobioside
RN: 130421-98-6
InChIKey: JOXGWIRIPPTAJL-KQDSVYJTSA-N

Note

  • A ligand for cellobiohydrolase.

Molecular Weight

  • 574.3783
 
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Names and Synonyms

Name of Substance

  • 2-Iodobenzyl-1-thiocellobioside

Synonyms

  • Ibtc ligand
  • o-Iodobenzyl-1-thio-beta-cellobioside

Registry Numbers

CAS Registry Number

  • 130421-98-6

System Generated Number

  • 0130421986

Structure Descriptors

InChI

1S/C19H27IO10S/c20-9-4-2-1-3-8(9)7-31-19-16(27)14(25)17(11(6-22)29-19)30-18-15(26)13(24)12(23)10(5-21)28-18/h1-4,10-19,21-27H,5-7H2/t10-,11-,12-,13+,14-,15-,16-,17-,18+,19+/m1/s1

InChIKey

JOXGWIRIPPTAJL-KQDSVYJTSA-N

Smiles

c1ccc(c(c1)CS[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)I