Products 1246522-05-3

CAS 1246522-05-3 appears in our catalog under these names: Coenzyme A, S-(5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoate, ammonium salt (1:3), 95%, 20:5 COENZYME A, Eicosapentaenoyl-CoA (triammonium). Offered by: Chemat Brand, Sigma-Aldrich, MedChemExpress. Available pack sizes: on request, 5MG, 1 mg.

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

Triazanium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-4-[[3-[2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate (CAS 1246522-05-3) is a chemical compound with the molecular formula C41H73N10O17P3S and a molecular weight of 1103.1 g/mol. IUPAC name: triazanium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-4-[[3-[2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate. InChIKey: QCDQAUBOSVTHRQ-RWZJTUFVSA-N.

Identity
Molecular formulaC41H73N10O17P3S
Molecular weight1103.1 g/mol
IUPAC nametriazanium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-4-[[3-[2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
InChIKeyQCDQAUBOSVTHRQ-RWZJTUFVSA-N
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=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)