Basic information
- CAS
5261-79-0- Standard SMILES
CC1=CC(n2cnc3c(N)ncnc32)C(O)C1O- InChIKey
PHUOJWOHGMYMJL-UHFFFAOYSA-N- Molecular formula
- C11H13N5O2
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.10692467
Names & identifiers
- Preferred name
- 5-(6-Amino-9h-purin-9-yl)-3-methylcyclopent-3-ene-1,2-diol
- IUPAC
- 5-(6-aminopurin-9-yl)-3-methylcyclopent-3-ene-1,2-diol
Names & synonyms
5-(6-amino-9h-purin-9-yl)-3-methylcyclopent-3-ene-1,2-diol5261-79-0NSC622949DTXSID30326942NSC-622949
Database identifiers
- CAS
5261-79-0- PubChem CID
- 360642
- DTXSID
DTXSID30326942
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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