Adenosine 5'-(trihydrogen diphosphate), monoanhydride with phosphorothioic acid, tetralithium salt

Base Information

• Chemical Name: Adenosine 5'-(trihydrogen diphosphate), monoanhydride with phosphorothioic acid, tetralithium salt
• CAS No.: 93839-89-5
• Molecular Formula: C10H12Li4N5O12P3S
• Molecular Weight: 546.98
• European Community (EC) Number: 298-862-8
• DSSTox Substance ID: DTXSID5052834
• Nikkaji Number: J354.454K
• Mol file: 93839-89-5.mol

Synonyms:(gamma-S)ATP;adenosine 5'-(3-thio)triphosphate;adenosine 5'-(gamma-S)triphosphate;adenosine 5'-O-(3-thiotriphosphate);adenosine 5'-O-(gamma-thiotriphosphate);adenosine 5'-O-thiotriphosphate;adenosine 5'-thiotriphosphate;adenosine-5'-(3-thiotriphosphate);ATP gamma-S;ATPgammaS;gamma-thio-ATP

Chemical Property of Adenosine 5'-(trihydrogen diphosphate), monoanhydride with phosphorothioic acid, tetralithium salt

Chemical Property:

• Appearance/Colour: white powder
• Boiling Point: 940.5 °C at 760 mmHg
• Flash Point: 522.6 °C
• PSA: 334.90000
• LogP: 1.47200
• Storage Temp.: −20°C
• Solubility.: H2O: 25 mg/mL
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 8
• Exact Mass: 547.0056167
• Heavy Atom Count: 35
• Complexity: 788

Purity/Quality:

98%,99%, ^*data from raw suppliers

Adenosine5’-[γ-thio]triphosphateTetralithiumSalt(85%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [Li+].[Li+].[Li+].[Li+].C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=S)([O-])[O-])O)O)N
• Isomeric SMILES: [Li+].[Li+].[Li+].[Li+].C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=S)([O-])[O-])O)O)N
• Uses: Adenosine 5’[γ-thio]triphosphate Tetralithium Salt is used as a reagent in the synthesis of DNA N-acetylglucosamine analogs. Adenosine 5′-[γ-thio]triphosphate tetralithium salt has been used to treat the pollen grains to determine the inhibitory effect of adenosine triphosphate (ATP) or its hydrolysis product. It has also been used to select thiophosphorylate target protein. ATP-γ-S is a substrate and inhibitor of ATP-dependent enzyme systems. It is hydrolyzed very slowly by phosphatases and most ATPases. Once thiophosphorylated, proteins are resistant to protein phosphatases.