[(2R,3R,4R,5R)-5-acetamido-2,4-bis(oxidanyl)-6-oxidanylidene-1-sulfonatooxy-hexan-3-yl] sulfate

Systemtic Name: [(2R,3R,4R,5R)-5-acetamido-2,4-bis(oxidanyl)-6-oxidanylidene-1-sulfonatooxy-hexan-3-yl] sulfate Openeye Name: [(2R,3R,4R,5R)-5-acetamido-2,4-dihydroxy-6-oxo-3-sulfonatooxy-hexyl] sulfate CAS Name: [(2R,3R,4R,5R)-5-acetamido-2,4-dihydroxy-6-oxo-1-sulfonatooxyhexan-3-yl] sulfate IUPAC Name: [(2R,3R,4R,5R)-5-acetamido-2,4-dihydroxy-6-oxo-1-sulfonatooxyhexan-3-yl] sulfate Traditional Name: [(2R,3R,4R,5R)-5-acetamido-2,4-dihydroxy-6-keto-3-sulfato-hexyl] sulfate Formula: C8H13NO12S2-2 MolecularWeight: 379.31832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C=O)C(C(C(COS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O

Isomeric SMILES

CC(=O)N[C@@H](C=O)[C@H]([C@H]([C@@H](COS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O

InChI

InChI=1S/C8H15NO12S2/c1-4(11)9-5(2-10)7(13)8(21-23(17,18)19)6(12)3-20-22(14,15)16/h2,5-8,12-13H,3H2,1H3,(H,9,11)(H,14,15,16)(H,17,18,19)/p-2/t5-,6+,7+,8-/m0/s1