N-HEXADECANOYL COENZYME A LITHIUM SALT

CAS No.
188174-64-3
CCD No.
CCD00263972
Formula
C37 H65 N7 O17 P3 S . Li
MolWeight
1011.88

Basic Information

Product Name: N-HEXADECANOYL COENZYME A LITHIUM SALT
CAS: 188174-64-3
English Synonyms: HEXADECANOYL COENZYME A LITHIUM SALT ; PALMITOYL COENZYME A LITHIUM SALT ; N-HEXADECANOYL COENZYME A LITHIUM SALT
MDL Number.: MFCD01863103
H bond acceptor: 24
H bond donor: 8
Smile: [Li+].CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](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/C37H66N7O17P3S.Li/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44;/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52);/q;+1/p-1/t26-,30-,31-,32+,36-;/m1./s1
InChiKey: InChIKey=BSAYABVAJQBKKB-NNGKVBCISA-M

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WGK Germany: 3

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