Basic information
- CAS
115044-76-3- Standard SMILES
Nc1nc(Br)nc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O- InChIKey
MOFDAKHUBHRTST-OBXARNEKSA-N- Molecular formula
- C10H12BrN5O3
- Average molar mass
- 330.14 g/mol
- Monoisotopic mass
- 329.01235
Names & identifiers
- Preferred name
- Adenosine, 2-bromo-3'-deoxy-
- IUPAC
- (2R,3R,5S)-2-(6-amino-2-bromopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
- English name
- 2-bromo-3'-deoxyadenosine
- Molecular formula
- C10H12BrN5O3
- Molecular weight
- 330.14
Names & synonyms
2-Bromo-3'-deoxyadenosine115044-76-32-BDA3'-Deoxy-2-bromoadenosineAdenosine, 2-bromo-3'-deoxy-RefChem:85651(2R,3R,5S)-2-(6-Amino-2-bromo-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-ol(2R,3R,5S)-2-(6-amino-2-bromopurin-9-yl)-5-(hydroxymethyl)oxolan-3-olSCHEMBL20419178SCHEMBL29707455DTXSID60921606(2R,3R,5S)-2-(6-amino-2-bromo-9H-purin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
Show more names
Adenosine, 2-bromo-3'-deoxy- (9CI)
2-Bromo-9-(3-deoxypentofuranosyl)-9H-purin-6-amine
Database identifiers
- CAS
115044-76-3- PubChem CID
- 196709
- DTXSID
DTXSID60921606
Properties
Computed structural properties
- XLogP
- 0.4
- 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
0 records
No reaction records under the current filter.
Compound notes
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