Basic information
- Standard SMILES
OCC1CC(F)C(n2cnc3c(Br)ncnc32)O1- InChIKey
MHMLXMMURQWKKT-UHFFFAOYSA-N- Molecular formula
- C10H10BrFN4O2
- Average molar mass
- 317.11 g/mol
- Monoisotopic mass
- 315.99712
Names & identifiers
- Preferred name
- Dideoxypurineriboside6bromo2fluoro
- IUPAC
- [5-(6-bromopurin-9-yl)-4-fluorooxolan-2-yl]methanol
Names & synonyms
NSC655256CHEMBL418179DTXSID50874051NSC-655256DIDEOXYPURINERIBOSIDE6BROMO2FLUORO6-Bromo-9-(2,3-dideoxy-2-fluoropentofuranosyl)-9H-purine
Database identifiers
- PubChem CID
- 375474
- DTXSID
DTXSID50874051- ChEMBL
CHEMBL418179
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
Experimental & physicochemical properties
LogP0.44
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…