Products 112898-15-4

CAS 112898-15-4 appears in our catalog under these names: 2'(3')-O-(4-BENZOYLBENZOYL)ADENOSINE&, BzATP triethylammonium salt, BzATP triethylammonium salt, 2'(3')-O-(4-Benzoyl)benzoyladenosine-5'-triphosphate triethylammonium salt, BzATP triethylammonium salt 95%. Offered by: Sigma-Aldrich, TargetMol, GLPBio, Biosynth, Ambeed. Available pack sizes: 25MG, 5MG, 1mg, 10mg, 100mg, 50mg, 10 mg, 1 mg.

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

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-benzoylbenzoate;N,N-diethylethanamine (CAS 112898-15-4) is a chemical compound with the molecular formula C30H39N6O15P3 and a molecular weight of 816.6 g/mol. IUPAC name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-benzoylbenzoate;N,N-diethylethanamine. InChIKey: HVOVBTNCGADRTH-WBLDMZOZSA-N.

Identity
Molecular formulaC30H39N6O15P3
Molecular weight816.6 g/mol
IUPAC name[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 4-benzoylbenzoate;N,N-diethylethanamine
InChIKeyHVOVBTNCGADRTH-WBLDMZOZSA-N
SMILESCCN(CC)CC.C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O

Computed by PubChem (NCBI)