Basic information
- Standard SMILES
OCC1CC(F)C(n2cnc3c(I)ncnc32)O1- InChIKey
GXLVFRXSVMYCGP-UHFFFAOYSA-N- Molecular formula
- C10H10FIN4O2
- Average molar mass
- 364.11 g/mol
- Monoisotopic mass
- 363.98325
Names & identifiers
- Preferred name
- Dideoxypurineriboside6iodo2fluoro
- IUPAC
- [4-fluoro-5-(6-iodopurin-9-yl)oxolan-2-yl]methanol
Names & synonyms
NSC655257CHEMBL18823DTXSID20874063NSC-655257DIDEOXYPURINERIBOSIDE6IODO2FLUORO9-(2,3-Dideoxy-2-fluoropentofuranosyl)-6-iodo-9H-purine
Database identifiers
- PubChem CID
- 375475
- DTXSID
DTXSID20874063- ChEMBL
CHEMBL18823
Properties
Computed structural properties
- XLogP
- 0.9
- 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
LogP0.63
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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