[(2R,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-3,4-disulfooxy-5-[[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]methoxy]-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate

Systemtic Name: [(2R,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-3,4-disulfooxy-5-[[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]methoxy]-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate Openeye Name: [(2R,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-3,4-disulfooxy-5-[[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydrofuran-2-yl]methoxy]-3,5-disulfooxy-6-(sulfooxymethyl)tetrahydropyran-4-yl] hydrogen sulfate CAS Name: sulfuric acid [(2R,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-3,4-disulfooxy-5-[[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)-2-oxanyl]oxymethyl]-2-oxolanyl]methoxy]-3,5-disulfooxy-6-(sulfooxymethyl)-4-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-3,4-disulfooxy-5-[[(2R,3R,4S,5R,6R)-3,4,5-trisulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]methoxy]-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate Traditional Name: sulfuric acid [(2R,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-3,4-disulfoxy-5-[[(2R,3R,4S,5R,6R)-3,4,5-trisulfoxy-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydrofuran-2-yl]methoxy]-3,5-disulfoxy-6-(sulfoxymethyl)tetrahydropyran-4-yl] ester Formula: C18H32O45S10 MolecularWeight: 1289.06968

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(O1)COC2C(C(C(C(O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OC3C(C(C(C(O3)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

C([C@@H]1[C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C18H32O45S10/c19-64(20,21)51-3-7-11(58-68(31,32)33)13(60-70(37,38)39)15(62-72(43,44)45)17(54-7)49-1-5-9(56-66(25,26)27)10(57-67(28,29)30)6(53-5)2-50-18-16(63-73(46,47)48)14(61-71(40,41)42)12(59-69(34,35)36)8(55-18)4-52-65(22,23)24/h5-18H,1-4H2,(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)/t5-,6-,7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-/m1/s1