[(1S,2S,3R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
Basic information
- CAS
132436-36-3- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H]1CO- InChIKey
PYJIWOQTJHPDAK-GJMOJQLCSA-N- Molecular formula
- C11H15N5O2
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.12257474
Names & identifiers
- Preferred name
- [(1S,2S,3R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
- IUPAC
- [(1S,2S,3R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
Names & synonyms
[(1S,2S,3R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol132436-36-3SCHEMBL8537239DTXSID703882069-(cis-2,3-bis(CH2OH)cyclobutyl)A1',2'-cis-9-[2,3-Dihydroxymethyl)cyclobutyl]adenine[(1S,2S,3R)-3-(6-Amino-9H-purin-9-yl)cyclobutane-1,2-diyl]dimethanol1,2-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)-, (1a,2a,3a)-
Database identifiers
- CAS
132436-36-3- PubChem CID
- 3000303
- DTXSID
DTXSID70388206
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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