tetrasodium;(3S,5S,6S)-3-[(2R,4R,5S)-3-acetamido-5-[(2R,4R,5S)-5-[(2R,4R,5R)-3-acetamido-5-methoxy-4-sulfonatooxy-6-(sulfonatooxymethyl)tetrahydropyran-2-yl]oxy-6-carboxylato-3,4-dihydroxy-tetrahydropyran-2-yl]oxy-4-hydroxy-6-(sulfonatooxymethyl)tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-2-carboxylate

化合物标识与属性

CAS

134498-62-7

PubChem CID

176448513

SMILES

C[C@H]1[C@H](C([C@@H](C(O1)C(=O)[O-])O[C@@H]2C([C@H]([C@@H](C(O2)COS(=O)(=O)[O-])O[C@H]3C([C@H]([C@@H](C(O3)C(=O)[O-])O[C@@H]4C([C@H]([C@@H](C(O4)COS(=O)(=O)O)OC)OS(=O)(=O)O)N=C(C)[O-])O)O)O)N=C(C)[O-])O)O.[Na+].[Na+].[Na+].[Na+]

Canonical SMILES

CO[C@@H]1C(COS(=O)(=O)O)O[C@H](O[C@@H]2C(C(=O)[O-])O[C@@H](O[C@@H]3C(COS(=O)(=O)[O-])O[C@H](O[C@@H]4C(C(=O)[O-])O[C@@H](C)[C@@H](O)C4O)C(N=C(C)[O-])[C@H]3O)C(O)[C@H]2O)C(N=C(C)[O-])[C@H]1OS(=O)(=O)O.[Na+].[Na+].[Na+].[Na+]