Basic Information |
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Product Name: | DL-BETA-HYDROXYBUTYRYL COENZYME A LITHIUM SALT |
CAS: | 103404-51-9 |
English Synonyms: | DL-BETA-HYDROXYBUTYRYL COENZYME A LITHIUM SALT ; DL-3-HYDROXYBUTYRYL COENZYME A LITHIUM SALT |
MDL Number.: | MFCD00079336 |
H bond acceptor: | 25 |
H bond donor: | 9 |
Smile: | [Li+].CC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)[O-])O)O |
InChi: | InChI=1S/C25H42N7O18P3S.Li/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32;/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41);/q;+1/p-1/t13?,14-,18-,19-,20?,24-;/m1./s1 |
InChiKey: | InChIKey=LAFNERKQGWXYJK-NBKDBVEWSA-M |
Property |
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Safety information |
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WGK Germany: | 3 |
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