N-(1,2,3,4-Tetrahydro-7-methoxy-1-naphthalenyl)adenosine
Basic information
- CAS
103791-11-3- Standard SMILES
COc1ccc2c(c1)C(Nc1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CCC2- InChIKey
PDCRQRXFQSQZOB-BWZSZYTASA-N- Molecular formula
- C21H25N5O5
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.18556891
Names & identifiers
- Preferred name
- N-(1,2,3,4-Tetrahydro-7-methoxy-1-naphthalenyl)adenosine
- IUPAC
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]purin-9-yl]oxolane-3,4-diol
Names & synonyms
CHEMBL2092768SCHEMBL10601191N-(1,2,3,4-Tetrahydro-7-methoxy-1-naphthalenyl)adenosineDTXSID801200235BDBM50453036103791-11-3N-(7-Methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)adenosine
Database identifiers
- CAS
103791-11-3- PubChem CID
- 14348656
- DTXSID
DTXSID801200235- ChEMBL
CHEMBL2092768- Nikkaji
- J380.685E
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 617
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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