ISOBUTYRYL COENZYME A LITHIUM SALT

CAS No.
103404-95-1
CCD No.
CCD00050239
Formula
C25 H41 N7 O17 P3 S . Li
MolWeight
843.56

Basic Information

Product Name: ISOBUTYRYL COENZYME A LITHIUM SALT
CAS: 103404-95-1
English Synonyms: IB-COA LITHIUM SALT ; 2-METHYLPROPANOYL-COA LITHIUM SALT ; ISOBUTYRYL COENZYME A LITHIUM SALT
MDL Number.: MFCD00079368
H bond acceptor: 24
H bond donor: 8
Smile: [Li+].CC(C)C(=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
InChi: InChI=1S/C25H42N7O17P3S.Li/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32;/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40);/q;+1/p-1/t14-,17-,18-,19?,23-;/m1./s1
InChiKey: InChIKey=QLBQLMFNZPPFPM-KGXGSOJISA-M

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WGK Germany: 3

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