(2R,3R,4S,5R)-2-(6-(Cyclopentylamino)-8-(ethylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Basic information
- CAS
174365-17-4- Standard SMILES
CCNc1nc2c(NC3CCCC3)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O- InChIKey
SLWVADXZKQTPAC-XNIJJKJLSA-N- Molecular formula
- C17H26N6O4
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.20155333
Names & identifiers
- Preferred name
- (2R,3R,4S,5R)-2-(6-(Cyclopentylamino)-8-(ethylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
- IUPAC
- (2R,3R,4S,5R)-2-[6-(cyclopentylamino)-8-(ethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
174365-17-4(2R,3R,4S,5R)-2-(6-(Cyclopentylamino)-8-(ethylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diolCHEMBL2113439Adenosine, N-cyclopentyl-8-(ethylamino)-(2R,3R,4S,5R)-2-[6-(cyclopentylamino)-8-(ethylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diolN-Cyclopentyl-8-(ethylamino)adenosineDTXSID60435511BDBM50454494(2R,3R,4S,5R)-2-[6-(cyclopentylamino)-8-(ethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Database identifiers
- CAS
174365-17-4- PubChem CID
- 10091055
- DTXSID
DTXSID60435511- ChEMBL
CHEMBL2113439- Nikkaji
- J736.064I
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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