Basic Information |
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| Product Name: | ALPHA-NEUNAC-(2->6)-(BETA-D-GAL-[1->3])-BETA-D-GLCNAC-(1->3)-BETA-D-GAL-(1->4)-GLC SODIUM SALT |
| CAS: | 64003-54-9 |
| English Synonyms: | LS-TETRASACCHARIDE B SODIUM SALT ; ALPHA-NEUNAC-(2->6)-(BETA-D-GAL-[1->3])-BETA-D-GLCNAC-(1->3)-BETA-D-GAL-(1->4)-GLC SODIUM SALT ; LST B SODIUM SALT ; N-ACETYLNEURAMIN-LACTO-N-TETRAOSE B SODIUM SALT |
| MDL Number.: | MFCD17215677 |
| H bond acceptor: | 32 |
| H bond donor: | 18 |
| Smile: | CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])OOC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H](OC([C@@H]([C@H]5O)O)O)CO)CO)O)NC(=O)C)O)O)O)O.[Na+] |
| InChi: | InChI=1S/C37H62N2O30.Na/c1-9(44)38-17-11(46)3-37(36(58)59,68-30(17)19(48)12(47)4-40)69-60-8-16-20(49)23(52)26(55)34(64-16)66-29-18(39-10(2)45)33(62-13(5-41)21(29)50)67-31-22(51)14(6-42)63-35(27(31)56)65-28-15(7-43)61-32(57)25(54)24(28)53;/h11-35,40-43,46-57H,3-8H2,1-2H3,(H,38,44)(H,39,45)(H,58,59);/q;+1/p-1/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21+,22-,23-,24+,25+,26+,27+,28+,29+,30+,31-,32?,33-,34-,35-,37-;/m0./s1 |
| InChiKey: | InChIKey=HGDDCVVUHMSNKV-PDVAXTHHSA-M |
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