(2R,4S,5R,6R)-5-acetamido-4-oxidanyl-2-[(2R,3S,4S,5R)-2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexoxy]-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: (2R,4S,5R,6R)-5-acetamido-4-oxidanyl-2-[(2R,3S,4S,5R)-2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexoxy]-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid CAS Name: (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid IUPAC Name: (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid Traditional Name: (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-keto-hexoxy]-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid Formula: C17H29NO14 MolecularWeight: 471.41046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCC(C(C(C(C=O)O)O)O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO14/c1-6(21)18-11-7(22)2-17(16(29)30,32-15(11)14(28)9(24)4-20)31-5-10(25)13(27)12(26)8(23)3-19/h3,7-15,20,22-28H,2,4-5H2,1H3,(H,18,21)(H,29,30)/t7-,8-,9+,10+,11+,12+,13-,14+,15+,17+/m0/s1