Basic information
- CAS
14357-07-4- Standard SMILES
OCC1OC(n2cnc3c(Br)ncnc32)C(O)C1O- InChIKey
VQYHBKUAZGTYDN-UHFFFAOYSA-N- Molecular formula
- C10H11BrN4O4
- Average molar mass
- 331.12 g/mol
- Monoisotopic mass
- 329.99637
Names & identifiers
- Preferred name
- 6-Bromo-9-pentofuranosyl-9h-purine
- IUPAC
- 2-(6-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
14357-07-46-bromo-9-pentofuranosyl-9h-purineNSC62630NCIOpen2_008127DTXSID90289660NSC-62630
Database identifiers
- CAS
14357-07-4- PubChem CID
- 247644
- DTXSID
DTXSID90289660
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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