[(2R,3S,4R,5R,6R)-5-acetamido-4,6-diacetyloxy-3-sulfooxy-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3S,4R,5R,6R)-5-acetamido-4,6-diacetyloxy-3-sulfooxy-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3S,4R,5R,6R)-5-acetamido-4,6-diacetoxy-3-sulfooxy-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3S,4R,5R,6R)-5-acetamido-4,6-diacetyloxy-3-sulfooxy-2-oxanyl]methyl ester IUPAC Name: [(2R,3S,4R,5R,6R)-5-acetamido-4,6-diacetyloxy-3-sulfooxyoxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3S,4R,5R,6R)-5-acetamido-4,6-diacetoxy-3-sulfoxy-tetrahydropyran-2-yl]methyl ester Formula: C14H21NO12S MolecularWeight: 427.38104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OC(=O)C)COC(=O)C)OS(=O)(=O)O)OC(=O)C

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)C)COC(=O)C)OS(=O)(=O)O)OC(=O)C

InChI

InChI=1S/C14H21NO12S/c1-6(16)15-11-13(24-8(3)18)12(27-28(20,21)22)10(5-23-7(2)17)26-14(11)25-9(4)19/h10-14H,5H2,1-4H3,(H,15,16)(H,20,21,22)/t10-,11-,12-,13-,14+/m1/s1