disodium [(2R,3S,4S,5R,6R)-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(oxidanyl)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-octoxy-3,5-bis(oxidanyl)oxan-2-yl]methyl sulfate

Systemtic Name: disodium [(2R,3S,4S,5R,6R)-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-bis(oxidanyl)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-6-octoxy-3,5-bis(oxidanyl)oxan-2-yl]methyl sulfate Openeye Name: disodium [(2R,3S,4R,5R,6R)-5-acetamido-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-octoxy-6-(sulfonatooxymethyl)tetrahydropyran-4-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-yl]methyl sulfate CAS Name: disodium [(2R,3S,4R,5R,6R)-5-acetamido-6-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-octoxy-6-(sulfonatooxymethyl)-4-oxanyl]oxy]-3,4-dihydroxy-2-oxanyl]methyl sulfate IUPAC Name: disodium [(2R,3S,4R,5R,6R)-5-acetamido-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-octoxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,4-dihydroxyoxan-2-yl]methyl sulfate Traditional Name: disodium [(2R,3S,4R,5R,6R)-5-acetamido-6-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-octoxy-6-(sulfatomethyl)tetrahydropyran-4-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-yl]methyl sulfate Formula: C22H39NNa2O17S2 MolecularWeight: 699.6511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C(C(C(C(O1)COS(=O)(=O)[O-])O)OC2C(C(C(C(O2)COS(=O)(=O)[O-])O)O)NC(=O)C)O.[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C22H41NO17S2.2Na/c1-3-4-5-6-7-8-9-35-22-19(28)20(17(26)14(39-22)11-37-42(32,33)34)40-21-15(23-12(2)24)18(27)16(25)13(38-21)10-36-41(29,30)31;;/h13-22,25-28H,3-11H2,1-2H3,(H,23,24)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/t13-,14-,15-,16-,17+,18-,19-,20+,21-,22-;;/m1../s1