Basic information
- CAS
109875-45-8- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1c1ccc([N+](=O)[O-])cc1- InChIKey
SYSQXFJVTDHGLI-VYXACLINSA-N- Molecular formula
- C16H16N6O5
- Average molar mass
- 372.34 g/mol
- Monoisotopic mass
- 372.11821763
Names & identifiers
- Preferred name
- 9-[2-Deoxy-2-(4-nitrophenyl)pentofuranosyl]-9H-purin-6-amine
- IUPAC
- (2R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-(4-nitrophenyl)oxolan-3-ol
Names & synonyms
DTXSID009113849-[2-Deoxy-2-(4-nitrophenyl)pentofuranosyl]-9H-purin-6-amine9-[2-Deoxy-2-(4-nitrophenyl)-beta-D-glycero-pentofuranosyl]-9H-purin-6-amine
Database identifiers
- CAS
109875-45-8- PubChem CID
- 60381
- DTXSID
DTXSID00911384
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 542
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…