[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy(phosphonooxy)phosphinothioyl] hydrogen phosphate

Base Information

• Chemical Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy(phosphonooxy)phosphinothioyl] hydrogen phosphate
• CAS No.: 60478-94-6
• Molecular Formula: C10H16 N5 O12 P3 S
• Molecular Weight: 523.25
• Nikkaji Number: J545.089F
• Mol file: 60478-94-6.mol

Synonyms:adenosine 5'-(2-thio)triphosphate;adenosine 5'-(2-thiotriphosphate);adenosine 5'-O-(2-thiotriphosphate);ATP beta S;ATP beta-S

Chemical Property of [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy(phosphonooxy)phosphinothioyl] hydrogen phosphate

Chemical Property:

• PSA: 323.58000
• LogP: -0.28080
• XLogP3: -4
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 8
• Exact Mass: 522.97290313
• Heavy Atom Count: 31
• Complexity: 805

Purity/Quality:

97% ^*data from raw suppliers

ADENOSINE-5'-O-(2-THIOTRIPHOSPHATE) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

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)OP(=O)(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)OP(=O)(O)O)O)O)N