Products 71425-89-3

CAS 71425-89-3 appears in our catalog under these names: Hexadecyl–CoA, hexadecyl Coenzyme A (ammonium salt), Hexadecyl-CoA, 16:0 ether coenzyme A. Offered by: GLPBio, Chemat, MedChemExpress, Sigma-Aldrich. Available pack sizes: 1mg, 5mg, 1 mg.

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

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate (CAS 71425-89-3) is a chemical compound with the molecular formula C37H68N7O16P3S and a molecular weight of 992.0 g/mol. IUPAC name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate. InChIKey: HCCBNDDJPKNSLM-WOQKIVQTSA-N.

Identity
Molecular formulaC37H68N7O16P3S
Molecular weight992.0 g/mol
IUPAC name[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] hydrogen phosphate
InChIKeyHCCBNDDJPKNSLM-WOQKIVQTSA-N
SMILESCCCCCCCCCCCCCCCCSCCNC(=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

Computed by PubChem (NCBI)