tridecapotassium [(2S,3R,4S,5R,6R)-3,5-disulfonatooxy-2-[(2R,3R,4R,5R)-4-sulfonatooxy-2,5-bis[[(2R,3R,4S,5R,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxymethyl]oxolan-3-yl]oxy-6-(sulfonatooxymethyl)oxan-4-yl] sulfate

Systemtic Name: tridecapotassium [(2S,3R,4S,5R,6R)-3,5-disulfonatooxy-2-[(2R,3R,4R,5R)-4-sulfonatooxy-2,5-bis[[(2R,3R,4S,5R,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxymethyl]oxolan-3-yl]oxy-6-(sulfonatooxymethyl)oxan-4-yl] sulfate Openeye Name: tridecapotassium [(2S,3R,4S,5R,6R)-3,5-disulfonatooxy-2-[(2R,3R,4R,5R)-4-sulfonatooxy-2,5-bis[[(2R,3R,4S,5R,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydrofuran-3-yl]oxy-6-(sulfonatooxymethyl)tetrahydropyran-4-yl] sulfate CAS Name: tridecapotassium [(2S,3R,4S,5R,6R)-3,5-disulfonatooxy-2-[[(2R,3R,4R,5R)-4-sulfonatooxy-2,5-bis[[(2R,3R,4S,5R,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)-2-oxanyl]oxymethyl]-3-oxolanyl]oxy]-6-(sulfonatooxymethyl)-4-oxanyl] sulfate IUPAC Name: tridecapotassium [(2S,3R,4S,5R,6R)-3,5-disulfonatooxy-2-[(2R,3R,4R,5R)-4-sulfonatooxy-2,5-bis[[(2R,3R,4S,5R,6R)-3,4,5-trisulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxymethyl]oxolan-3-yl]oxy-6-(sulfonatooxymethyl)oxan-4-yl] sulfate Traditional Name: tridecapotassium [(2S,3R,4S,5R,6R)-3,5-disulfato-2-[(2R,3R,4R,5R)-4-sulfato-2,5-bis[[(2R,3R,4S,5R,6R)-3,4,5-trisulfato-6-(sulfatomethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydrofuran-3-yl]oxy-6-(sulfatomethyl)tetrahydropyran-4-yl] sulfate Formula: C24H29K13O59S13 MolecularWeight: 2186.57456

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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-])OC3C(C(C(C(O3)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OC4C(C(C(C(O4)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]

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-])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-])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]

InChI

InChI=1S/C24H42O59S13.13K/c25-84(26,27)66-3-8-13(75-88(37,38)39)16(78-91(46,47)48)19(81-94(55,56)57)22(70-8)64-1-6-11(73-24-21(83-96(61,62)63)18(80-93(52,53)54)15(77-90(43,44)45)10(72-24)5-68-86(31,32)33)12(74-87(34,35)36)7(69-6)2-65-23-20(82-95(58,59)60)17(79-92(49,50)51)14(76-89(40,41)42)9(71-23)4-67-85(28,29)30;;;;;;;;;;;;;/h6-24H,1-5H2,(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)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63);;;;;;;;;;;;;/q;13*+1/p-13/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18+,19-,20-,21-,22-,23-,24+;;;;;;;;;;;;;/m1............./s1