trisodium (2R,3S,4S,5S)-2-[(2R,3R,4S,5S,6S)-6-carboxylato-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxolane-2,5-dicarboxylate

Systemtic Name: trisodium (2R,3S,4S,5S)-2-[(2R,3R,4S,5S,6S)-6-carboxylato-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxolane-2,5-dicarboxylate Openeye Name: trisodium (2R,3S,4S,5S)-2-[(2R,3R,4S,5S,6S)-6-carboxylato-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-tetrahydrofuran-2,5-dicarboxylate CAS Name: trisodium (2R,3S,4S,5S)-2-[[(2R,3R,4S,5S,6S)-6-carboxylato-3,4,5-trihydroxy-2-oxanyl]oxy]-3,4-dihydroxyoxolane-2,5-dicarboxylate IUPAC Name: trisodium (2R,3S,4S,5S)-2-[(2R,3R,4S,5S,6S)-6-carboxylato-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxolane-2,5-dicarboxylate Traditional Name: trisodium (2R,3S,4S,5S)-2-[(2R,3R,4S,5S,6S)-6-carboxylato-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-tetrahydrofuran-2,5-dicarboxylate Formula: C12H13Na3O14 MolecularWeight: 450.19253

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Descriptors Computed from Structure

Canonical SMILES:

C1(C(C(OC(C1O)OC2(C(C(C(O2)C(=O)[O-])O)O)C(=O)[O-])C(=O)[O-])O)O.[Na+].[Na+].[Na+]

Isomeric SMILES

[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O[C@]2([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)C(=O)[O-])C(=O)[O-])O)O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C12H16O14.3Na/c13-1-2(14)5(8(18)19)24-10(3(1)15)26-12(11(22)23)7(17)4(16)6(25-12)9(20)21;;;/h1-7,10,13-17H,(H,18,19)(H,20,21)(H,22,23);;;/q;3*+1/p-3/t1-,2-,3+,4+,5-,6-,7-,10+,12+;;;/m0.../s1