Adenosine5'-(tetrahydrogen triphosphate), 8-bromo-, sodium salt (9CI)

Base Information

• Chemical Name: Adenosine5'-(tetrahydrogen triphosphate), 8-bromo-, sodium salt (9CI)
• CAS No.: 81035-56-5
• Molecular Formula: C₁₀H₁₁BrN₅O₁₃P₃*4Na
• Molecular Weight: 674.007
• European Community (EC) Number: 636-014-4
• DSSTox Substance ID: DTXSID00703847
• Mol file: 81035-56-5.mol

Synonyms:81035-56-5;Adenosine5'-(tetrahydrogen triphosphate), 8-bromo-, sodium salt (9CI);35892-96-7;Sodium ((2R,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl triphosphate;DTXSID00703847;8-BROMO-ADENOSINE-5-TRIPHOSPHATE,SODIUMSALT;Tetrasodium 8-bromo-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)adenosine

Chemical Property of Adenosine5'-(tetrahydrogen triphosphate), 8-bromo-, sodium salt (9CI)

Chemical Property:

• PSA: 311.39000
• LogP: 0.15290
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 7
• Exact Mass: 672.83404
• Heavy Atom Count: 36
• Complexity: 808

Purity/Quality:

99% ^*data from raw suppliers

8-Bromoadenosine 5′-triphosphate sodium salt ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 23/24/25-36/37/38
• Safety Statements: 22-26-36-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=C2C(=N1)N(C(=N2)Br)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)N.[Na+].[Na+].[Na+].[Na+]
• Isomeric SMILES: C1=NC(=C2C(=N1)N(C(=N2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)N.[Na+].[Na+].[Na+].[Na+]
• Uses: 8-Bromoadenosine 5''-Triphosphate Sodium Salt is a reagent required for the characterization (stoichiometry, geometry, and stability constant) of ATP:Fe(II) complex.