Dilithium,[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Oxido-Phosphoryl] [(3R)-4-[[3-(2-Hexadecanoylsulfanylethylamino)-3-Oxo-Propyl]Amino]-3-Hydroxy-2,2-Dimethyl-4-Oxo-Butyl] Phosphate
[CAS# 188174-64-3]

Identification

• Name: Dilithium,[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy-Oxido-Phosphoryl] [(3R)-4-[[3-(2-Hexadecanoylsulfanylethylamino)-3-Oxo-Propyl]Amino]-3-Hydroxy-2,2-Dimethyl-4-Oxo-Butyl] Phosphate
• Synonyms: Hexadecanoyl coenzyme A; n-Hexadecanoyl Coenzyme- A; Palmitoyl coenzyme A lithium salt
• Molecular Formula: C₃₇H₆₄Li₂N₇O₁₇P₃S
• Molecular Weight: 1017.81
• CAS Registry Number: 188174-64-3
• SMILES: [Li+].[Li+].O=C(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@@H](n2cnc1c(ncnc12)N)[C@H](O)[C@@H]3OP(=O)(O)O)CCCCCCCCCCCCCCC
• InChI: 1S/C37H66N7O17P3S.2Li/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;2*+1/p-2/t26-,30-,31-,32+,36-;;/m1../s1
• InChIKey: DYGZCGVIAWYLCY-JKGJHWKDSA-L

Properties

• Refractive index: (Cal.)