DECANOYL COENZYME A MONOHYDRATE_Chemical Cloud Database

DECANOYL COENZYME A MONOHYDRATE

Basic Information
Product Name：	DECANOYL COENZYME A MONOHYDRATE
English Synonyms：	CAPRYL COENZYME A MONOHYDRATE ; DECANOYL COENZYME A MONOHYDRATE
MDL Number.：	MFCD00166975
H bond acceptor：	24
H bond donor：	9
Smile：	CCCCCCCCCC(=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.O
InChi：	InChI=1S/C31H54N7O17P3S.H2O/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38;/h18-20,24-26,30,41-42H,4-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46);1H2/t20-,24-,25-,26+,30-;/m1./s1
InChiKey：	InChIKey=IRILGPHKFKSRQN-ASEPKIFHSA-N
Property
Safety information
WGK Germany：	3

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