Compound 1. Nonadecasodium (2'-tritio)-2-hydroxy-ethyl 4-O-sulfonato-2-N-sulfonato-α-D-glucosaminopyranosyl-(1→4)-2-O- sulfonato-α-L-idopyranosyl uronate-(1→4)-2-N-sulfonato-α-D-glucosaminopyranosyl- (1→4)-2-O-sulfonato-α-L-idopyranosyl uronate-(1→4)-2-N-sulfonato-α-D-glucosaminopyranosyl-(1→4)-2-O-sulfonato-α-L-idopyranosyl uronate-(1→4)-2-N-sulfonato-α-D-glucosaminopyranosyl-(1→4)-2-O-sulfonato-α-L-idopyranosyl uronate-(1→4)-2-N-sulfonato-α-D-glucosaminopyranosyl-(1→4)-2-O-sulfonato-α-L-idopyranosyl uronate-(1→4)-2-N-sulfonato-α-D-glucosaminopyranosyl-(1→4)-2-O-sulfonato-α-L-idopyranoside uronate.
Molecular Weight: 3,546.23
Elemental Analysis: C, 25.06; H, 2.93; N, 2.37; Na, 12.32; O, 45.57; S, 11.75
Standard InChI: InChI=1S/C74H120N6O101S13.19Na/c81-1-2-151-69-45(176-189(133,134)135)27(94)39(51(169-69)57(100)101)163-63-15(75-182(112,113)114)21(88)33(9(3-82)152-63)158-70-46(177-190(136,137)138)28(95)40(52(170-70)58(102)103)164-64-16(76-183(115,116)117)22(89)34(10(4-83)153-64)159-71-47(178-191(139,140)141)29(96)41(53(171-71)59(104)105)165-65-17(77-184(118,119)120)23(90)35(11(5-84)154-65)160-72-48(179-192(142,143)144)30(97)42(54(172-72)60(106)107)166-66-18(78-185(121,122)123)24(91)36(12(6-85)155-66)161-73-49(180-193(145,146)147)31(98)43(55(173-73)61(108)109)167-67-19(79-186(124,125)126)25(92)37(13(7-86)156-67)162-74-50(181-194(148,149)150)32(99)44(56(174-74)62(110)111)168-68-20(80-187(127,128)129)26(93)38(14(8-87)157-68)175-188(130,131)132;;;;;;;;;;;;;;;;;;;/h9-56,63-99H,1-8H2,(H,100,101)(H,102,103)(H,104,105)(H,106,107)(H,108,109)(H,110,111)(H,112,113,114)(H,115,116,117)(H,118,119,120)(H,121,122,123)(H,124,125,126)(H,127,128,129)(H,130,131,132)(H,133,134,135)(H,136,137,138)(H,139,140,141)(H,142,143,144)(H,145,146,147)(H,148,149,150);;;;;;;;;;;;;;;;;;;/q;19*+1/p-19/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+,29+,30+,31+,32+,33-,34-,35-,36-,37-,38-,39+,40+,41+,42+,43+,44+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-;;;;;;;;;;;;;;;;;;;/m1.................../s1/i1T;;;;;;;;;;;;;;;;;;;/t1?,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+,29+,30+,31+,32+,33-,34-,35-,36-,37-,38-,39+,40+,41+,42+,43+,44+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-;;;;;;;;;;;;;;;;;;;
Standard InChIKey: WOSPQDWNVUJWEN-BTFOSDATSA-A
SMILES: OC[C@H]([C@H]([C@@H]([C@H]1NS(=O)([O-])=O)O)O[C@@H]([C@H](OS(=O)([O-])=O)[C@H]2O)O[C@@H](C([O-])=O)[C@H]2O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3NS(=O)([O-])=O)O)O[C@@H]([C@H](OS(=O)([O-])=O)[C@H]4O)O[C@@H](C([O-])=O)[C@H]4O[C@H]5O[C@@H]([C@H]([C@@H]([C@H]5NS(=O)([O-])=O)O)O[C@@H]([C@H](OS(=O)([O-])=O)[C@H]6O)O[C@@H](C([O-])=O)[C@H]6O[C@H]7O[C@@H]([C@H]([C@@H]([C@H]7NS(=O)([O-])=O)O)O[C@@H]([C@H](OS(=O)([O-])=O)[C@H]8O)O[C@@H](C([O-])=O)[C@H]8O[C@H]9O[C@@H]([C@H]([C@@H]([C@H]9NS(=O)([O-])=O)O)O[C@@H]([C@H](OS(=O)([O-])=O)[C@H]%10O)O[C@@H](C([O-])=O)[C@H]%10O[C@H]%11O[C@@H]([C@H]([C@@H]([C@H]%11NS(=O)([O-])=O)O)OS(=O)([O-])=O)CO)CO)CO)CO)CO)O[C@@H]1O[C@@H]%12[C@H](C([O-])=O)O[C@@H](OCC([3H])O)[C@H](OS(=O)([O-])=O)[C@H]%12O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Chemical Formula: C74H100TN6Na19O101S13