Adenosine, 3'-deoxy-3'-fluoro-N-(1-oxohexadecyl)-
Basic information
- CAS
122654-32-4- Standard SMILES
CCCCCCCCCCCCCCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O- InChIKey
STBFDSBMEYZUMC-PAGNRNNLSA-N- Molecular formula
- C26H42FN5O4
- Average molar mass
- 507.6 g/mol
- Monoisotopic mass
- 507.322083
Names & identifiers
- Preferred name
- Adenosine, 3'-deoxy-3'-fluoro-N-(1-oxohexadecyl)-
- IUPAC
- N-[9-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]hexadecanamide
Names & synonyms
122654-32-4N-(Oxohexadecyl)-3'-F-3'-dAAdenosine, 3'-deoxy-3'-fluoro-N-(1-oxohexadecyl)-3'-Deoxy-3'-fluoro-N-(1-oxohexadecyl)-adenosineN-(9-((2R,3S,4S,5R)-4-Fluoro-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-6-yl)palmitamideDTXSID901536703'-Deoxy-3'-fluoro-N-hexadecanoyladenosineN-[9-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]hexadecanamide
Database identifiers
- CAS
122654-32-4- PubChem CID
- 451617
- DTXSID
DTXSID90153670
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 633
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Compound notes
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