Chemical Compound

CHEMBL590013

CHEMBL590013 chemical structure
Primary Record

CHEMBL590013

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
91934088
SMILES
C1=CC=C(C=C1)C2=CN(N=N2)CCCCCCCCCCCCO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)[O-])OS(=O)(=O)[O-])O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)[O-])OS(=O)(=O)[O-])O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)COS(=O)(=O)[O-])OS(=O)(=O)[O-])O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-]
Canonical SMILES
O=S(=O)([O-])OC[C@H]1O[C@H](OCCCCCCCCCCCCn2cc(-c3ccccc3)nn2)[C@@H](O[C@H]2O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](O[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](O[C@H]4O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](O[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@@H]5OS(=O)(=O)[O-])[C@@H]4OS(=O)(=O)[O-])[C@@H]3OS(=O)(=O)[O-])[C@@H]2OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@@H]1OS(=O)(=O)[O-]

Names & Synonyms

  • CHEMBL590013
  • BDBM50307395
  • 12-(4-Phenyl[1,2,3]triazol-1-yl)dodecyl 2,3,4,6-Tetra-O-sulfor-D-mannopyranosyl-(1->3)-2,4,6-tri-O-sulfo-alpha-D-mannopyranosyl-(1->3)-2,4,6-tri-O-sulfo-alpha-D-mannopyranosyl-(1->3)-2,4,6-tri-O-sulfor-D-mannopyranosyl-(1->2)-3,4,6-tri-O-sulfo-alpha-D-mannopyranoside,HexadecasodiumSalt