Basic information
- CAS
53458-18-7- Standard SMILES
CCSCC1OC(n2cnc3c(N)nc(F)nc32)C(O)C1O- InChIKey
LAFNOKTVWYUFEP-UHFFFAOYSA-N- Molecular formula
- C12H16FN5O3S
- Average molar mass
- 329.35 g/mol
- Monoisotopic mass
- 329.09578873
Names & identifiers
- Preferred name
- 2-(6-Amino-2-fluoropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol
- IUPAC
- 2-(6-amino-2-fluoropurin-9-yl)-5-(ethylsulfanylmethyl)oxolane-3,4-diol
Names & synonyms
53458-18-7NSC166158DTXSID20304532NSC-1661589-(5-S-Ethyl-5-thiopentofuranosyl)-2-fluoro-9H-purin-6-amine
Database identifiers
- CAS
53458-18-7- PubChem CID
- 296237
- DTXSID
DTXSID20304532
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…