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

Systemtic Name: 5-azanyl-6-methoxy-6-[1-methoxy-1-methylperoxy-2,3-bis(oxidanyl)propyl]-4-oxidanyl-2-(phenylcarbonyloxy)oxane-2-carboxylic acid Openeye Name: 5-amino-2-benzoyloxy-6-(2,3-dihydroxy-1-methoxy-1-methylperoxy-propyl)-4-hydroxy-6-methoxy-tetrahydropyran-2-carboxylic acid CAS Name: 5-amino-2-benzoyloxy-6-(2,3-dihydroxy-1-methoxy-1-methyldioxypropyl)-4-hydroxy-6-methoxy-2-oxanecarboxylic acid IUPAC Name: 5-amino-2-benzoyloxy-6-(2,3-dihydroxy-1-methoxy-1-methylperoxypropyl)-4-hydroxy-6-methoxyoxane-2-carboxylic acid Traditional Name: 5-amino-2-benzoyloxy-6-(2,3-dihydroxy-1-methoxy-1-methylperoxy-propyl)-4-hydroxy-6-methoxy-tetrahydropyran-2-carboxylic acid Formula: C19H27NO12 MolecularWeight: 461.41718

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C(C(CC(O1)(C(=O)O)OC(=O)C2=CC=CC=C2)O)N)C(C(CO)O)(OC)OOC

Isomeric SMILES

COC1(C(C(CC(O1)(C(=O)O)OC(=O)C2=CC=CC=C2)O)N)C(C(CO)O)(OC)OOC

InChI

InChI=1S/C19H27NO12/c1-27-18(32-29-3,13(23)10-21)19(28-2)14(20)12(22)9-17(31-19,16(25)26)30-15(24)11-7-5-4-6-8-11/h4-8,12-14,21-23H,9-10,20H2,1-3H3,(H,25,26)