6-bromo-9-pentofuranosyl-9H-purin-2-amine
Basic information
- CAS
91688-07-2- Standard SMILES
Nc1nc(Br)c2ncn(C3OC(CO)C(O)C3O)c2n1- InChIKey
JEAGSZXYGSYKJX-UHFFFAOYSA-N- Molecular formula
- C10H12BrN5O4
- Average molar mass
- 346.14 g/mol
- Monoisotopic mass
- 345.00727
Names & identifiers
- Preferred name
- 6-bromo-9-pentofuranosyl-9H-purin-2-amine
- IUPAC
- 2-(2-amino-6-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
91688-07-2NSC626316-bromo-9-pentofuranosyl-9H-purin-2-amineNCIOpen2_008167SCHEMBL15602790DTXSID50289661NSC-62631
Database identifiers
- CAS
91688-07-2- PubChem CID
- 247645
- DTXSID
DTXSID50289661
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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