5'-Bromo-5'-deoxyadenosine

Base Information

• Chemical Name: 5'-Bromo-5'-deoxyadenosine
• CAS No.: 4337-12-6
• Molecular Formula: C10H12BrN5O3
• Molecular Weight: 330.141
• ChEMBL ID: CHEMBL1212980
• DSSTox Substance ID: DTXSID30567111
• Nikkaji Number: J2.959.448A
• Wikidata: Q82452893
• Mol file: 4337-12-6.mol

Synonyms:5'-Bromo-5'-deoxyadenosine;4337-12-6;CHEMBL1212980;SCHEMBL10005022;DTXSID30567111;(2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-(bromomethyl)oxolane-3,4-diol;(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-(bromomethyl)tetrahydrofuran-3,4-diol

Chemical Property of 5'-Bromo-5'-deoxyadenosine

Chemical Property:

• XLogP3: -0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 329.01235
• Heavy Atom Count: 19
• Complexity: 338

Purity/Quality:

95% ^*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)C3C(C(C(O3)CBr)O)O)N
• Isomeric SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CBr)O)O)N