2-(6-Amino-2-fluoropurin-9-yl)-5-methyloxolane-3,4-diol
Basic information
- CAS
37076-78-1- Standard SMILES
CC1OC(n2cnc3c(N)nc(F)nc32)C(O)C1O- InChIKey
JHHDPGPTPONLOU-UHFFFAOYSA-N- Molecular formula
- C10H12FN5O3
- Average molar mass
- 269.23 g/mol
- Monoisotopic mass
- 269.09241742
Names & identifiers
- Preferred name
- 2-(6-Amino-2-fluoropurin-9-yl)-5-methyloxolane-3,4-diol
- IUPAC
- 2-(6-amino-2-fluoropurin-9-yl)-5-methyloxolane-3,4-diol
- English name
- 2-Fluoro-5'-deoxyadenosine
- Molecular formula
- C10H12FN5O3
- Molecular weight
- 269.23
Names & synonyms
37076-78-1NSC1320819-(5-deoxypentofuranosyl)-2-fluoro-9h-purin-6-amineSCHEMBL66716502-(6-amino-2-fluoropurin-9-yl)-5-methyloxolane-3,4-diolDTXSID80958237NSC-1320812-Fluoro-5'-deoxyadenosin5'-Deoxy-2-fluoroadenosine2-Fluoro-5'-deoxyadenosineAdenosine, 5'-deoxy-2-fluoro-
Database identifiers
- CAS
37076-78-1- PubChem CID
- 280444
- DTXSID
DTXSID80958237
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Boiling point
- 661.8 · 661.8±65.0 °C(Predicted)
- Density
- 2.02 · 2.02±0.1 g/cm3(Predicted)
- pka
- 13.23 · 13.23±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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