Adpbetas

Base Information

• Chemical Name: Adpbetas
• CAS No.: 73536-95-5
• Molecular Formula: C10H15 N5 O9 P2 S . 3 Li
• Molecular Weight: 461.07
• European Community (EC) Number: 277-530-6
• DSSTox Substance ID: DTXSID90956527
• Nikkaji Number: J386.539H
• Wikidata: Q27074315
• Pharos Ligand ID: 3N6BHV9PNRA8,3NYVH3GR6LZS
• Metabolomics Workbench ID: 70610
• ChEMBL ID: CHEMBL335206
• Mol file: 73536-95-5.mol

Synonyms:(32S)adenosine 5'-O-(2-thiodiphosphate);5'-adenosine diphosphate beta-S;5'-ADPS;adenosine 5'-O-(2-thiodiphosphate);adenosine 5'-O-(2-thiodiphosphate), trilithium salt;adenosine-5'-O-(2-thiodiphosphate);ADP beta S;ADP beta-S;ADP-S;ADPbetaS;beta-thio-ADP

Chemical Property of Adpbetas

Chemical Property:

• PSA: 275.73000
• LogP: 0.91680
• Storage Temp.: −20°C
• XLogP3: -2.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 6
• Exact Mass: 443.00657224
• Heavy Atom Count: 27
• Complexity: 642

Purity/Quality:

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

Adenosine 5?-O-(2-Thiodiphosphate), Trilithium Salt ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-68/20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=S)(O)O)O)O)N
• Isomeric SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=S)(O)O)O)O)N
• Uses: Adenosine 5′-[β-thio]diphosphate trilithium salt has been used to induce neuropathic pain in rats to study the effect of dorsal horn cannabinoid CB2 receptor activation on the expression of P2Y12 and P2Y13 (purinoceptors) receptors.