Basic information
- CAS
124770-85-0- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@H]1CO- InChIKey
PYJIWOQTJHPDAK-BWZBUEFSSA-N- Molecular formula
- C11H15N5O2
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.12257474
Names & identifiers
- Preferred name
- 1,2-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)-, (1S,2R,3R)-
- IUPAC
- [(1S,2R,3R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
Names & synonyms
126187-01-7(R)-Cyclobutyl-A1,2-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)-, (1S,2R,3R)-((1S,2R,3R)-3-(6-Amino-9H-purin-9-yl)cyclobutane-1,2-diyl)dimethanol[(1S,2R,3R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanolCyclobutyl-AC-oxetanocin A[(1S,2R,3R)-3-(6-Amino-9H-purin-9-yl)cyclobutane-1,2-diyl]dimethanolSQ-33,242CHEMBL23571SCHEMBL8537235DTXSID50155099
Show more names
1,2-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)-, (1a,2b,3a)-, (+/-)1,2-Cyclobutanedimethanol, 3-(6-amino-9H-purin-9-yl)-, (1S,2R,3R)-rel-
Database identifiers
- CAS
124770-85-0、126187-01-7- PubChem CID
- 451656
- DTXSID
DTXSID50155099- ChEMBL
CHEMBL23571- Nikkaji
- J281.981C
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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