Products 799812-84-3

CAS 799812-84-3 appears in our catalog under these names: Coenzyme A, S-dodecanoate, ammonium salt (1:3), 98%, Lauroyl coenzyme A ammonium, 12:0 COENZYME A, lauroyl Coenzyme A (ammonium salt), 12:0 Coenzyme A (triammonium). Offered by: Chemat Brand, Biosynth, Sigma-Aldrich, Chemat, MedChemExpress. Available pack sizes: on request, 5mg, 10mg, 1 mg, 5 mg.

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

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] dodecanethioate;azane (CAS 799812-84-3) is a chemical compound with the molecular formula C33H61N8O17P3S and a molecular weight of 966.9 g/mol. IUPAC name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] dodecanethioate;azane. InChIKey: MMRDXEWDQYCAKK-CDSRRKEDSA-N.

Identity
Molecular formulaC33H61N8O17P3S
Molecular weight966.9 g/mol
IUPAC nameS-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] dodecanethioate;azane
InChIKeyMMRDXEWDQYCAKK-CDSRRKEDSA-N
SMILESCCCCCCCCCCCC(=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.N

Computed by PubChem (NCBI)