sodium [(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-sulfonatooxy-oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl] sulfate

Systemtic Name: sodium [(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-sulfonatooxy-oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl] sulfate Openeye Name: sodium [(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfonatooxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] sulfate CAS Name: sodium [(2R,3R,4S,5S,6R)-2-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfonatooxy-2-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl] sulfate IUPAC Name: sodium [(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-sulfonatooxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] sulfate Traditional Name: sodium [(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-methylol-5-sulfato-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl] sulfate Formula: C24H40NaO34S4-3 MolecularWeight: 1023.80377

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)OS(=O)(=O)[O-])O)O)OS(=O)(=O)[O-])O)O)O.C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)OS(=O)(=O)[O-])O)O)OS(=O)(=O)[O-])O)O)O.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/2C12H22O17S2.Na/c2*13-1-3-5(15)6(16)10(29-31(22,23)24)12(25-3)27-11-8(18)7(17)9(4(2-14)26-11)28-30(19,20)21;/h2*3-18H,1-2H2,(H,19,20,21)(H,22,23,24);/q;;+1/p-4/t2*3-,4-,5-,6+,7-,8-,9-,10-,11-,12-;/m11./s1