1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2R-cis)-
Basic information
- CAS
145913-80-0- Standard SMILES
Nc1nc(F)nc2c1ncn2[C@@H]1CS[C@H](CO)O1- InChIKey
FHYHYXRPVWILHN-CRCLSJGQSA-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-cis)-
- IUPAC
- [(2R,5S)-5-(6-amino-2-fluoropurin-9-yl)-1,3-oxathiolan-2-yl]methanol
Names & synonyms
Oxathiolan 2FPur-beta1,3-Oxathiolane-2-methanol, 5-(6-amino-2-fluoro-9H-purin-9-yl)-, (2R-cis)-145913-80-0(+)-(2R,5S)-2-Fluoro-6-amino-9-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)purine(+)-(2R,5S)-2-Fluoro-6-amino-9-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]purineOxathiolan 2FPur-.b.CHEMBL58544DTXSID60163206[(2R,5S)-5-(6-amino-2-fluoro-9H-purin-9-yl)-1,3-oxathiolan-2-yl]methanol[(2R,5S)-5-(6-amino-2-fluoro-purin-9-yl)-1,3-oxathiolan-2-yl]methanol
Database identifiers
- CAS
145913-80-0- PubChem CID
- 454533
- DTXSID
DTXSID60163206- ChEMBL
CHEMBL58544- Nikkaji
- J528.690E
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
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Compound notes
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