8-Chloroadenosin-5'-triphosphate

Base Information

• Chemical Name: 8-Chloroadenosin-5'-triphosphate
• CAS No.: 185341-71-3
• Molecular Formula: C₁₀H₁₅ClN₅O₁₃P₃
• Molecular Weight: 541.629
• UNII: Z846LF5DED
• Nikkaji Number: J1.241.448J
• ChEMBL ID: CHEMBL2368786
• Mol file: 185341-71-3.mol

Synonyms:8-chloro-ATP

Chemical Property of 8-Chloroadenosin-5'-triphosphate

Chemical Property:

• PSA: 319.88000
• LogP: 1.35840
• XLogP3: -4.7
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 8
• Exact Mass: 540.9567742
• Heavy Atom Count: 32
• Complexity: 836

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=C2C(=N1)N(C(=N2)Cl)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
• Isomeric SMILES: C1=NC(=C2C(=N1)N(C(=N2)Cl)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N