9-(2,3-Dideoxy-2-fluoro-beta-L-threo-pentofuranosyl)adenine
Basic information
- CAS
166411-50-3- Standard SMILES
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)C[C@H]1F- InChIKey
KBEMFSMODRNJHE-DGAHNEANSA-N- Molecular formula
- C10H12FN5O2
- Average molar mass
- 253.23 g/mol
- Monoisotopic mass
- 253.0975028
Names & identifiers
- Preferred name
- 9-(2,3-Dideoxy-2-fluoro-beta-L-threo-pentofuranosyl)adenine
- IUPAC
- [(2R,4R,5S)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
Names & synonyms
2'-F-dd-araA2'-Fluoro-2',3'-L-dideoxy-ara-adenosine9-(2,3-Dideoxy-2-fluoro-beta-L-threo-pentofuranosyl)adenine166411-50-39H-Purin-6-amine, 9-(2,3-dideoxy-2-fluoro-b-L-threo-pentofuranosyl)-DTXSID701681019-(3-Fluoro-2,3-dideoxy-|A-D-threo-pentofuranosyl)adenine9-(2,3-Dideoxy-2-fluoro-.beta.-L-threo-pentofuranosyl)adenine[(2R,4R,5S)-5-(6-aminopurin-9-yl)-4-fluoro-tetrahydrofuran-2-yl]methanol9-(2,3-Dideoxy-2-fluoro-beta-L-threo-pentofuranosyl)-9H-purin-6-amine
Database identifiers
- CAS
166411-50-3- PubChem CID
- 451950
- DTXSID
DTXSID70168101- Nikkaji
- J1.224.989F
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
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Compound notes
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