trisodium 2-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis[[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy]oxolan-2-yl]oxybutane-1,2,4-tricarboxylate

Systemtic Name: trisodium 2-[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis[[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy]oxolan-2-yl]oxybutane-1,2,4-tricarboxylate Openeye Name: trisodium 2-[(2R,3R,4R,5R)-3,4-bis[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy]-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxybutane-1,2,4-tricarboxylate CAS Name: trisodium 2-[[(2R,3R,4R,5R)-3,4-bis[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-5-(hydroxymethyl)-2-oxolanyl]oxy]butane-1,2,4-tricarboxylate IUPAC Name: trisodium 2-[(2R,3R,4R,5R)-3,4-bis[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy]-5-(hydroxymethyl)oxolan-2-yl]oxybutane-1,2,4-tricarboxylate Traditional Name: trisodium 2-[(2R,3R,4R,5R)-3,4-bis[[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]oxy]-5-methylol-tetrahydrofuran-2-yl]oxybutane-1,2,4-tricarboxylate Formula: C22H31Na3O19 MolecularWeight: 668.43945

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(CC(=O)[O-])(C(=O)[O-])OC1C(C(C(O1)CO)OC2C(C(C(O2)CO)O)O)OC3C(C(C(O3)CO)O)O)C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C(CC(CC(=O)[O-])(C(=O)[O-])O[C@@H]1[C@@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H34O19.3Na/c23-4-7-12(30)14(32)18(36-7)39-16-9(6-25)38-20(17(16)40-19-15(33)13(31)8(5-24)37-19)41-22(21(34)35,3-11(28)29)2-1-10(26)27;;;/h7-9,12-20,23-25,30-33H,1-6H2,(H,26,27)(H,28,29)(H,34,35);;;/q;3*+1/p-3/t7-,8-,9-,12-,13-,14-,15-,16-,17-,18-,19-,20-,22?;;;/m1.../s1