Products 2260670-64-0

CAS 2260670-64-0 appears in our catalog under these names: 16:0(d4) Coenzyme A, 16:0 Coenzyme A-d4, 99.9%. Offered by: Biosynth, Sigma-Aldrich, MedChemExpress. Available pack sizes: 5mg, 1mg, 10mg, 50mg, 25mg, 1 mg.

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

Triazanium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(11,11,12,12-tetradeuteriohexadecanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate (CAS 2260670-64-0) is a chemical compound with the molecular formula C37H75N10O17P3S and a molecular weight of 1061.1 g/mol. IUPAC name: triazanium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(11,11,12,12-tetradeuteriohexadecanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate. InChIKey: VJXJWGKNGIGUQX-GJVVMUCVSA-N.

Identity
Molecular formulaC37H75N10O17P3S
Molecular weight1061.1 g/mol
IUPAC nametriazanium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(11,11,12,12-tetradeuteriohexadecanoylsulfanyl)ethylamino]propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
InChIKeyVJXJWGKNGIGUQX-GJVVMUCVSA-N
SMILES[2H]C([2H])(CCCC)C([2H])([2H])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)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])O.[NH4+].[NH4+].[NH4+]

Computed by PubChem (NCBI)