5-acetamido-4-oxidanyl-2-phenylmethoxycarbonyloxy-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: 5-acetamido-4-oxidanyl-2-phenylmethoxycarbonyloxy-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: 5-acetamido-2-benzyloxycarbonyloxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid CAS Name: 5-acetamido-4-hydroxy-2-phenylmethoxycarbonyloxy-6-(1,2,3-trihydroxypropyl)-2-oxanecarboxylic acid IUPAC Name: 5-acetamido-4-hydroxy-2-phenylmethoxycarbonyloxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid Traditional Name: 5-acetamido-2-carbobenzoxyoxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid Formula: C19H25NO11 MolecularWeight: 443.4019

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C19H25NO11/c1-10(22)20-14-12(23)7-19(17(26)27,30-16(14)15(25)13(24)8-21)31-18(28)29-9-11-5-3-2-4-6-11/h2-6,12-16,21,23-25H,7-9H2,1H3,(H,20,22)(H,26,27)