Adenosine triphosphate disodium trihydrate

Base Information

• Chemical Name: Adenosine triphosphate disodium trihydrate
• CAS No.: 51963-61-2
• Molecular Formula: C10H16N5O13P3.3H2O.2Na
• Molecular Weight: 607.21
• European Community (EC) Number: 686-884-4
• UNII: 7ZRM409FOZ
• Wikidata: Q27269087
• Mol file: 51963-61-2.mol

Synonyms:ATP disodium hydrate;Adenosine triphosphate disodium trihydrate;UNII-7ZRM409FOZ;7ZRM409FOZ;ATP (disodium trihydrate);ATP disodium trihydrate;51963-61-2;Adenosine triphosphate disodium hydrate;(((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid, disodium salt trihydrate;ADENOSINE TRIPHOSPHATE DISODIUM HYDRATE [JAN];HY-B2176A;PD158018;CS-0021560;DISODIUM ADENOSINE 5'-TRIPHOSPHATE TRIHYDRATE;Q27269087;ADENOSINE TRIPHOSPHATE DISODIUM TRIHYDRATE [WHO-DD]

Chemical Property of Adenosine triphosphate disodium trihydrate

Chemical Property:

• Melting Point: 176oC
• PSA: 314.22000
• LogP: -0.17140
• Storage Temp.: −20°C
• Solubility.: H2O: 50 mg/mL
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 7
• Exact Mass: 604.99132912
• Heavy Atom Count: 36
• Complexity: 788

Purity/Quality:

99% ^*data from raw suppliers

Adenosine 5′-triphosphate disodium salt trihydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)([O-])[O-])O)O)N.O.O.O.[Na+].[Na+]
• Isomeric SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)([O-])[O-])O)O)N.O.O.O.[Na+].[Na+]
• Uses: P2 purinergic agonist; increases activity of Ca2+-activated K+ channels; substrate for ATP-dependent enzyme systems ATP, disodium salt, is used for the luminometric determination of Luc activity in cell extracts.