CAS 799812-81-0 appears in our catalog under these names: 06:0 COENZYME A, Coenzyme A, S-hexanoate, triammonium salt, 98%, Hexanoyl-coenzyme A (triammonium), 99%. Offered by: Sigma-Aldrich, Chemat Brand, MedChemExpress. Available pack sizes: 5MG, on request, 1 mg.
Triazanium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-hexanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate (CAS 799812-81-0) is a chemical compound with the molecular formula C27H55N10O17P3S and a molecular weight of 916.8 g/mol. IUPAC name: triazanium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-hexanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate. InChIKey: MXEFXWIYODKXEJ-WSHYHEJESA-N.
| Molecular formula | C27H55N10O17P3S |
|---|---|
| Molecular weight | 916.8 g/mol |
| IUPAC name | triazanium;[(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-(2-hexanoylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] hydrogen phosphate |
| InChIKey | MXEFXWIYODKXEJ-WSHYHEJESA-N |
| SMILES | CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])O.[NH4+].[NH4+].[NH4+] |
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