basic_info |
|
| Product_Name: | PER-O-ACETYL-ALPHA-THIOPHENYL-N-ACETYLNEURAMINIC METHYL ESTER |
| CAS: | 118977-26-7 ;667463-36-7 |
| EnglishSynonyms: | PER-O-ACETYL-ALPHA-THIOPHENYL-N-ACETYLNEURAMINIC METHYL ESTER ; METHYL 5-ACETAMIDO-4,7,8,9-TETRA-O-ACETYL-3,5-DIDEOXY-2-THIOPHENYL-D-GLYCERO-ALPHA-D-GALACTO-2-NONULOPYRANOSYLONATE |
| pro_mdlNumber: | MFCD01862643 |
| pro_acceptors: | 13 |
| pro_donors: | 1 |
| pro_smile: | CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)Sc2ccccc2)OC(=O)C |
| InChi: | InChI=1S/C26H33NO12S/c1-14(28)27-22-20(36-16(3)30)12-26(25(33)34-6,40-19-10-8-7-9-11-19)39-24(22)23(38-18(5)32)21(37-17(4)31)13-35-15(2)29/h7-11,20-24H,12-13H2,1-6H3,(H,27,28)/t20-,21+,22+,23+,24+,26-/m0/s1 |
| InChiKey: | InChIKey=NPLKOUSSDBQHEN-UQJVNAJPSA-N |
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