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

Systemtic Name: (2R,3S,4R,5R,6R)-5-acetamido-3,4-bis(oxidanyl)-2-(2-oxidanylideneethoxy)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: (2R,3S,4R,5R,6R)-5-acetamido-3,4-dihydroxy-2-(2-oxoethoxy)-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid CAS Name: (2R,3S,4R,5R,6R)-5-acetamido-3,4-dihydroxy-2-(2-oxoethoxy)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid IUPAC Name: (2R,3S,4R,5R,6R)-5-acetamido-3,4-dihydroxy-2-(2-oxoethoxy)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid Traditional Name: (2R,3S,4R,5R,6R)-5-acetamido-3,4-dihydroxy-2-(2-ketoethoxy)-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid Formula: C13H21NO11 MolecularWeight: 367.30594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO11/c1-5(17)14-7-9(20)11(21)13(12(22)23,24-3-2-15)25-10(7)8(19)6(18)4-16/h2,6-11,16,18-21H,3-4H2,1H3,(H,14,17)(H,22,23)/t6-,7-,8-,9-,10-,11+,13-/m1/s1