Basic information
- Standard SMILES
OC[C@H]1O[C@@H](n2cnc3c(NC4CC4)ncnc32)[C@H](F)[C@@H]1O- InChIKey
CNJKNVBDLYNJIR-ISDYYCSASA-N- Molecular formula
- C13H16FN5O3
- Average molar mass
- 309.3 g/mol
Names & identifiers
- Preferred name
- 6-(Cyclopropylamino)-9-(2-deoxy-2-fluoro-beta-D-ribofuranosyl)-9H-purine
- IUPAC
- (2R,3R,4R,5R)-5-[6-(cyclopropylamino)purin-9-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
Names & synonyms
SCHEMBL8970377CHEMBL3143557CNJKNVBDLYNJIR-ISDYYCSASA-N6-(Cyclopropylamino)-9-(2-deoxy-2-fluoro-beta-D-ribofuranosyl)-9H-purine
Database identifiers
- PubChem CID
- 10040966
- ChEMBL
CHEMBL3143557- Nikkaji
- J531.984F
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Related reactions
1 records
Compound notes
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