disodium (2S,4S,5R,6R)-5-acetamido-2-[4-[3-[(2S,4S,5R,6R)-5-acetamido-2-carboxylato-4-oxidanyl-6-[(1S,2R)-1,2,3-tris(oxidanyl)propyl]oxan-2-yl]oxyphenyl]phenoxy]-4-oxidanyl-6-[(1S,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate

Systemtic Name: disodium (2S,4S,5R,6R)-5-acetamido-2-[4-[3-[(2S,4S,5R,6R)-5-acetamido-2-carboxylato-4-oxidanyl-6-[(1S,2R)-1,2,3-tris(oxidanyl)propyl]oxan-2-yl]oxyphenyl]phenoxy]-4-oxidanyl-6-[(1S,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylate Openeye Name: disodium (2S,4S,5R,6R)-5-acetamido-2-[4-[3-[(2S,4S,5R,6R)-5-acetamido-2-carboxylato-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-yl]oxyphenyl]phenoxy]-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate CAS Name: disodium (2S,4S,5R,6R)-5-acetamido-2-[4-[3-[[(2S,4S,5R,6R)-5-acetamido-2-carboxylato-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]-2-oxanyl]oxy]phenyl]phenoxy]-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylate IUPAC Name: disodium (2S,4S,5R,6R)-5-acetamido-2-[4-[3-[(2S,4S,5R,6R)-5-acetamido-2-carboxylato-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxyphenyl]phenoxy]-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate Traditional Name: disodium (2S,4S,5R,6R)-5-acetamido-2-[4-[3-[(2S,4S,5R,6R)-5-acetamido-2-carboxylato-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-yl]oxyphenyl]phenoxy]-4-hydroxy-6-[(1S,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylate Formula: C34H42N2Na2O18 MolecularWeight: 812.67942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)[O-])OC2=CC=C(C=C2)C3=CC(=CC=C3)OC4(CC(C(C(O4)C(C(CO)O)O)NC(=O)C)O)C(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@H]([C@@H](CO)O)O)(C(=O)[O-])OC2=CC=C(C=C2)C3=CC(=CC=C3)O[C@@]4(C[C@@H]([C@H]([C@@H](O4)[C@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C34H44N2O18.2Na/c1-15(39)35-25-21(41)11-33(31(47)48,53-29(25)27(45)23(43)13-37)51-19-8-6-17(7-9-19)18-4-3-5-20(10-18)52-34(32(49)50)12-22(42)26(36-16(2)40)30(54-34)28(46)24(44)14-38;;/h3-10,21-30,37-38,41-46H,11-14H2,1-2H3,(H,35,39)(H,36,40)(H,47,48)(H,49,50);;/q;2*+1/p-2/t21-,22-,23+,24+,25+,26+,27-,28-,29+,30+,33+,34+;;/m0../s1