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

Systemtic Name: disodium [(2R,3R,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,6-dimethoxy-5-oxidanyl-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl sulfate Openeye Name: disodium [(2S,3R,4S,5S,6R)-5-hydroxy-4,6-dimethoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(sulfonatooxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl sulfate CAS Name: disodium [(2S,3R,4S,5S,6R)-5-hydroxy-4,6-dimethoxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(sulfonatooxymethyl)-2-oxanyl]oxy]-2-oxanyl]methyl sulfate IUPAC Name: disodium [(2S,3R,4S,5S,6R)-5-hydroxy-4,6-dimethoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(sulfonatooxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl sulfate Traditional Name: disodium [(2S,3R,4S,5S,6R)-5-hydroxy-4,6-dimethoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(sulfatomethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl sulfate Formula: C14H24Na2O17S2 MolecularWeight: 574.4397

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(OC(C1OC2C(C(C(C(O2)COS(=O)(=O)[O-])O)O)O)COS(=O)(=O)[O-])OC)O.[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C14H26O17S2.2Na/c1-25-12-10(18)13(26-2)30-6(4-28-33(22,23)24)11(12)31-14-9(17)8(16)7(15)5(29-14)3-27-32(19,20)21;;/h5-18H,3-4H2,1-2H3,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2/t5-,6+,7+,8+,9-,10+,11-,12+,13-,14+;;/m1../s1