sodium (3S,6R)-6-methoxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate

Systemtic Name: sodium (3S,6R)-6-methoxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate Openeye Name: sodium (3S,6R)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-carboxylate CAS Name: sodium (3S,6R)-3,4,5-trihydroxy-6-methoxy-2-oxanecarboxylate IUPAC Name: sodium (3S,6R)-3,4,5-trihydroxy-6-methoxyoxane-2-carboxylate Traditional Name: sodium (3S,6R)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-carboxylate Formula: C7H11NaO7 MolecularWeight: 230.14781

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)C(=O)[O-])O)O)O.[Na+]

Isomeric SMILES

CO[C@H]1C(C([C@@H](C(O1)C(=O)[O-])O)O)O.[Na+]

InChI

InChI=1S/C7H12O7.Na/c1-13-7-4(10)2(8)3(9)5(14-7)6(11)12;/h2-5,7-10H,1H3,(H,11,12);/q;+1/p-1/t2?,3-,4?,5?,7+;/m0./s1