Basic information
- CAS
132723-00-3- Standard SMILES
N=c1c2ncn([C@@H]3O[C@H](CO)C[C@@H]3F)c2ncn1O- InChIKey
PTEMTCLIAPVSOS-JFWOZONXSA-N- Molecular formula
- C10H12FN5O3
- Average molar mass
- 269.23 g/mol
- Monoisotopic mass
- 269.09241742
Names & identifiers
- Preferred name
- 9H-Purin-6-amine, 9-(2,3-dideoxy-2-fluoro-beta-D-threo-pentofuranosyl)-, 1-oxide
- IUPAC
- [(2S,4S,5R)-4-fluoro-5-(1-hydroxy-6-iminopurin-9-yl)oxolan-2-yl]methanol
Names & synonyms
2'F-ddA-N-oxide132723-00-3NSC 6281739H-Purin-6-amine, 9-(2,3-dideoxy-2-fluoro-beta-D-threo-pentofuranosyl)-, 1-oxide9-(2',3'-Dideoxy-2'-fluoro-beta-D-arabino-furanosyl)adenine-1-oxideNSC628173SCHEMBL8623250DTXSID809277869-(2',3'-Dideoxy-2'-fluoro-.beta.-D-arabino-furanosyl)adenine-1-oxide9-(2,3-Dideoxy-2-fluoropentofuranosyl)-6-imino-6,9-dihydro-1H-purin-1-ol[(2S,4S,5R)-5-(6-amino-1-oxido-purin-1-ium-9-yl)-4-fluoro-tetrahydrofuran-2-yl]methanol9-(2,3-Dideoxy-2-fluoro-beta-D-threo-pentofuranosyl)-6-imino-6,9-dihydro-1H-purin-1-ol
Show more names
9H-Purin-6-amine, 9-(2,3-dideoxy-2-fluoro-.beta.-D-threo-pentofuranosyl)-, 1-oxide
Database identifiers
- CAS
132723-00-3- PubChem CID
- 453081
- DTXSID
DTXSID80927786
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 409
Experimental & physicochemical properties
LogP-1.38
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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