1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2R-trans)-
Basic information
- CAS
145986-42-1- Standard SMILES
Nc1nc(F)nc2c1ncn2[C@H]1CS[C@H](CO)O1- InChIKey
FHYHYXRPVWILHN-RFZPGFLSSA-N- Molecular formula
- C9H10FN5O2S
- Average molar mass
- 271.27 g/mol
- Monoisotopic mass
- 271.05392391
Names & identifiers
- Preferred name
- 1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2R-trans)-
- IUPAC
- [(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-1,3-oxathiolan-2-yl]methanol
Names & synonyms
Oxathiolan 2FPur-alpha1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2R-trans)-145986-42-1(+)-(2R,5R)-2-Fluoro-6-amino-9-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)purineOxathiolan 2FPur-.a.(+)-(2R,5R)-2-Fluoro-6-amino-9-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]purineCHEMBL59576DTXSID80163243[(2R,5R)-5-(6-amino-2-fluoro-9H-purin-9-yl)-1,3-oxathiolan-2-yl]methanol[(2R,5R)-5-(6-amino-2-fluoro-purin-9-yl)-1,3-oxathiolan-2-yl]methanol
Database identifiers
- CAS
145986-42-1- PubChem CID
- 454534
- DTXSID
DTXSID80163243- ChEMBL
CHEMBL59576- Nikkaji
- J528.691C
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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