5'-O-(Dichlorophosphoryl)adenosine

Base Information

• Chemical Name: 5'-O-(Dichlorophosphoryl)adenosine
• CAS No.: 34051-17-7
• Molecular Formula: C10H12Cl2N5O5P
• Molecular Weight: 384.116
• DSSTox Substance ID: DTXSID40558111
• Wikidata: Q82440274
• Mol file: 34051-17-7.mol

Synonyms:5'-O-(Dichlorophosphoryl)adenosine;34051-17-7;SCHEMBL10630676;DTXSID40558111

Chemical Property of 5'-O-(Dichlorophosphoryl)adenosine

Chemical Property:

• XLogP3: -1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 382.9953109
• Heavy Atom Count: 23
• Complexity: 487

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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