Basic information
- CAS
125362-06-3- Standard SMILES
NC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1F- InChIKey
JAVBHBHAMQYQAN-QYYRPYCUSA-N- Molecular formula
- C10H13FN6O2
- Average molar mass
- 268.25 g/mol
- Monoisotopic mass
- 268.10840184
Names & identifiers
- Preferred name
- Adenosine, 5'-amino-3',5'-dideoxy-3'-fluoro-
- IUPAC
- (2R,3S,4S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol
Names & synonyms
125362-06-35'-Amino-3'-fluoro-3'-deoxyadenosineAdenosine, 5'-amino-3',5'-dideoxy-3'-fluoro-(2R,3S,4S,5R)-2-(6-Amino-9H-purin-9-yl)-5-(aminomethyl)-4-fluorotetrahydrofuran-3-ol5'-NH2-3'-F-3'-dA3',5'-Dideoxy-5'-amino-3'-fluoroadenosineDTXSID90154743(2R,3S,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(aminomethyl)-4-fluorooxolan-3-ol5'-Amino-3',5'-dideoxy-3'-fluoroadenosine(2R,3S,4S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluoro-tetrahydrofuran-3-ol
Database identifiers
- CAS
125362-06-3- PubChem CID
- 451616
- DTXSID
DTXSID90154743
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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