Basic information
- Standard SMILES
OC1C(COc2ccccc2F)OC(n2cnc3c(NC4CCOC4)ncnc32)C1O- InChIKey
QBYBDGUWZNPYIU-UHFFFAOYSA-N- Molecular formula
- C20H22FN5O5
- Average molar mass
- 431.4 g/mol
- Monoisotopic mass
- 431.16049698
Names & identifiers
- Preferred name
- 2-[(2-Fluorophenoxy)methyl]-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol
- IUPAC
- 2-[(2-fluorophenoxy)methyl]-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol
Names & synonyms
SCHEMBL14829675
Database identifiers
- PubChem CID
- 21864489
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 608
Related reactions
1 records
Compound notes
Loading…