[(2R,3R,4R,5R)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-tris(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] hydrogen sulfate

Systemtic Name: [(2R,3R,4R,5R)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-tris(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl] hydrogen sulfate Openeye Name: [(2R,3R,4R,5R)-5-acetamido-6-[(1S,2R,3R)-3-acetamido-1-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-oxo-butoxy]-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl] hydrogen sulfate CAS Name: sulfuric acid [(2R,3R,4R,5R)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-3-oxanyl] ester IUPAC Name: [(2R,3R,4R,5R)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [(2R,3R,4R,5R)-5-acetamido-6-[(1S,2R,3R)-3-acetamido-1-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-keto-butoxy]-4-hydroxy-2-methylol-tetrahydropyran-3-yl] ester Formula: C16H28N2O14S MolecularWeight: 504.46352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OC(C(CO)O)C(C(C=O)NC(=O)C)O)CO)OS(=O)(=O)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)NC(=O)C)O)CO)OS(=O)(=O)O)O

InChI

InChI=1S/C16H28N2O14S/c1-6(22)17-8(3-19)12(25)14(9(24)4-20)31-16-11(18-7(2)23)13(26)15(10(5-21)30-16)32-33(27,28)29/h3,8-16,20-21,24-26H,4-5H2,1-2H3,(H,17,22)(H,18,23)(H,27,28,29)/t8-,9+,10+,11+,12+,13+,14+,15-,16?/m0/s1