disodium (2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5R,6R)-2-carboxylato-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate

Systemtic Name: disodium (2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5R,6R)-2-carboxylato-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylate Openeye Name: disodium (2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5R,6R)-2-carboxylato-3,5-dihydroxy-6-methoxy-tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate CAS Name: disodium (2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5R,6R)-2-carboxylato-3,5-dihydroxy-6-methoxy-4-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylate IUPAC Name: disodium (2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5R,6R)-2-carboxylato-3,5-dihydroxy-6-methoxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate Traditional Name: disodium (2S,3S,4S,5R,6R)-6-[(2S,3S,4S,5R,6R)-2-carboxylato-3,5-dihydroxy-6-methoxy-tetrahydropyran-4-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate Formula: C13H18Na2O13 MolecularWeight: 428.25376

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)C(=O)[O-])O)OC2C(C(C(C(O2)C(=O)[O-])O)O)O)O.[Na+].[Na+]

Isomeric SMILES

CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)[O-])O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O)O.[Na+].[Na+]

InChI

InChI=1S/C13H20O13.2Na/c1-23-12-6(18)7(5(17)9(25-12)11(21)22)24-13-4(16)2(14)3(15)8(26-13)10(19)20;;/h2-9,12-18H,1H3,(H,19,20)(H,21,22);;/q;2*+1/p-2/t2-,3-,4+,5-,6+,7-,8-,9-,12+,13+;;/m0../s1