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

Systemtic Name: 5-azanyl-4-oxidanyl-2-(phenylcarbonyloxy)-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: 5-amino-2-benzoyloxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid CAS Name: 5-amino-2-benzoyloxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)-2-oxanecarboxylic acid IUPAC Name: 5-amino-2-benzoyloxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid Traditional Name: 5-amino-2-benzoyloxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid Formula: C16H21NO9 MolecularWeight: 371.33924

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(OC1(C(=O)O)OC(=O)C2=CC=CC=C2)C(C(CO)O)O)N)O

Isomeric SMILES

C1C(C(C(OC1(C(=O)O)OC(=O)C2=CC=CC=C2)C(C(CO)O)O)N)O

InChI

InChI=1S/C16H21NO9/c17-11-9(19)6-16(15(23)24,25-13(11)12(21)10(20)7-18)26-14(22)8-4-2-1-3-5-8/h1-5,9-13,18-21H,6-7,17H2,(H,23,24)