Basic information
- CAS
1294478-70-8- Standard SMILES
Nc1ncnc2c1nc(Br)n2[C@H]1C[C@H](O)[C@@H](CO)O1- InChIKey
NJBIVXMQFIQOGE-KVQBGUIXSA-N- Molecular formula
- C10H12BrN5O3
- Average molar mass
- 330.14 g/mol
- Monoisotopic mass
- 329.01235
Names & identifiers
- Preferred name
- 8-Bromo-2'-deoxyadenosine
- IUPAC
- (2R,3S,5R)-5-(6-amino-8-bromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Names & synonyms
8-Bromo-2'-deoxyadenosine14985-44-52'-Deoxy-8-bromoadenosine8-B-2-DARefChem:106949(2R,3S,5R)-5-(6-Amino-8-bromo-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-olAdenosine, 8-bromo-2'-deoxy-8-Bromo-2'-deoxy-D-adenosineMFCD016309708-Bromo-2??-deoxyadenosineSCHEMBL440599(2R,3S,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Show more names
HG1031AKOS024258314AC-32298AS-59393C10H12BrN5O3(2R,3S,5R)-5-(6-amino-8-bromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-olNSC 79220Adenosine,8-bromo-2'-deoxy-
Database identifiers
- CAS
1294478-70-8、14985-44-5- PubChem CID
- 96547
- ChEMBL
CHEMBL6161642- EC Number
- 141-407-4
- Nikkaji
- J981.590B
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Related reactions
10 records
Compound notes
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