8-(3-Chlorophenyl)adenosine
Basic information
- CAS
833445-95-7- Standard SMILES
Nc1ncnc2c1nc(-c1cccc(Cl)c1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O- InChIKey
MVZCLNULRCECSW-UBEDBUPSSA-N- Molecular formula
- C16H16ClN5O4
- Average molar mass
- 377.78 g/mol
- Monoisotopic mass
- 377.0890817
Names & identifiers
- Preferred name
- 8-(3-Chlorophenyl)adenosine
- IUPAC
- (2R,3R,4S,5R)-2-[6-amino-8-(3-chlorophenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
833445-95-7(2R,3R,4S,5R)-2-(6-Amino-8-(3-chlorophenyl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol8-(3-Chlorophenyl)adenosineDTXSID40835075(2R,3R,4S,5R)-2-[6-amino-8-(3-chlorophenyl)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diolAdenosine, 8-(3-chlorophenyl)- (9CI)
Database identifiers
- CAS
833445-95-7- PubChem CID
- 71415664
- DTXSID
DTXSID40835075
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 505
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Compound notes
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