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Product_Name: | 2'-(4-METHYLUMBELLIFERYL)-ALPHA-D-N-ACETYLNEURAMINIC ACID SODIUM SALT HYDRATE |
CAS: | 76204-02-9 |
EnglishSynonyms: | 4-METHYLUMBELLIFERYL N-ACETYL-A-D-NEURAMINIC ACID SODIUM SALT HYDRATE ; 2'-(4-METHYLUMBELLIFERYL)-A-D-N-ACETYLNEURAMINIC ACID SODIUM SALT HYDRATE ; 2'-(4-METHYLUMBELLIFERYL)-ALPHA-D-N-ACETYLNEURAMINIC ACID SODIUM SALT HYDRATE ; 4-METHYLUMBELLIFERYL-N-ACETYL-ALPHA-D-NEURAMINIC ACID SODIUM SALT HYDRATE ; 2′-(4-METHYLUMBELLIFERYL)-Α-D-N-ACETYLNEURAMINIC ACID SODIUM SALT HYDRATE |
pro_mdlNumber: | MFCD10567203 |
pro_acceptors: | 12 |
pro_donors: | 5 |
pro_smile: | Cc1cc(=O)oc2c1ccc(c2)O[C@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)[O-].O.[Na+] |
InChi: | InChI=1S/C21H25NO11.Na.H2O/c1-9-5-16(27)31-15-6-11(3-4-12(9)15)32-21(20(29)30)7-13(25)17(22-10(2)24)19(33-21)18(28)14(26)8-23;;/h3-6,13-14,17-19,23,25-26,28H,7-8H2,1-2H3,(H,22,24)(H,29,30);;1H2/q;+1;/p-1/t13-,14+,17+,18+,19+,21-;;/m0../s1 |
InChiKey: | InChIKey=NSQMRVBWXQQIKF-IOARPWNKSA-M |
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