[(2R,3S,4R,5R)-5-acetamido-6-phenylmethoxy-3,4-disulfooxy-oxan-2-yl]methyl hydrogen sulfate

Systemtic Name: [(2R,3S,4R,5R)-5-acetamido-6-phenylmethoxy-3,4-disulfooxy-oxan-2-yl]methyl hydrogen sulfate Openeye Name: [(2R,3S,4R,5R)-5-acetamido-6-benzyloxy-3,4-disulfooxy-tetrahydropyran-2-yl]methyl hydrogen sulfate CAS Name: sulfuric acid [(2R,3S,4R,5R)-5-acetamido-6-phenylmethoxy-3,4-disulfooxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R)-5-acetamido-6-phenylmethoxy-3,4-disulfooxyoxan-2-yl]methyl hydrogen sulfate Traditional Name: sulfuric acid [(2R,3S,4R,5R)-5-acetamido-6-benzoxy-3,4-disulfoxy-tetrahydropyran-2-yl]methyl ester Formula: C15H21NO15S3 MolecularWeight: 551.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1OCC2=CC=CC=C2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C15H21NO15S3/c1-9(17)16-12-14(31-34(24,25)26)13(30-33(21,22)23)11(8-28-32(18,19)20)29-15(12)27-7-10-5-3-2-4-6-10/h2-6,11-15H,7-8H2,1H3,(H,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)/t11-,12-,13+,14-,15?/m1/s1