sodium 5-acetamido-2-methoxy-4-oxidanyl-6-[(1S,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate

Systemtic Name: sodium 5-acetamido-2-methoxy-4-oxidanyl-6-[(1S,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate Openeye Name: sodium 5-acetamido-4-hydroxy-2-methoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate CAS Name: sodium 5-acetamido-4-hydroxy-2-methoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylate IUPAC Name: sodium 5-acetamido-4-hydroxy-2-methoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate Traditional Name: sodium 5-acetamido-4-hydroxy-2-methoxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate Formula: C12H20NNaO9 MolecularWeight: 345.27827

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)[O-])OC)O.[Na+]

Isomeric SMILES

CC(=O)NC1C(CC(OC1[C@H]([C@@H](CO)O)O)(C(=O)[O-])OC)O.[Na+]

InChI

InChI=1S/C12H21NO9.Na/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14;/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20);/q;+1/p-1/t6?,7-,8?,9+,10?,12?;/m1./s1