Products 324518-20-9

CAS 324518-20-9 appears in our catalog under these names: Octanoyl coenzyme A lithium, Octanoyl coenzyme A lithium salt hydrate, Octanoyl coenzyme A (lithium), 99.34%. Offered by: GLPBio, Biosynth, MedChemExpress. Available pack sizes: 1mg, 5mg, 500mg, 5 mg, 1 mg.

Structural formula: {0} (CAS {1})

Lithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-4-[[3-(2-octanoylsulfanylethylamino)-3-oxopropyl]amino]-4-oxobutoxy]phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate;hydrate (CAS 324518-20-9) is a chemical compound with the molecular formula C29H51LiN7O18P3S and a molecular weight of 917.7 g/mol. IUPAC name: lithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-4-[[3-(2-octanoylsulfanylethylamino)-3-oxopropyl]amino]-4-oxobutoxy]phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate;hydrate. InChIKey: IPSMFNYZOJIHQV-WLJQAKOVSA-M.

Identity
Molecular formulaC29H51LiN7O18P3S
Molecular weight917.7 g/mol
IUPAC namelithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-4-[[3-(2-octanoylsulfanylethylamino)-3-oxopropyl]amino]-4-oxobutoxy]phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate;hydrate
InChIKeyIPSMFNYZOJIHQV-WLJQAKOVSA-M
SMILES[Li+].CCCCCCCC(=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)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])O.O

Computed by PubChem (NCBI)