Basic information
- CAS
55559-55-2- Standard SMILES
N#Cc1nn(C2OC(CO)C(O)C2O)c2ncnc(N)c12- InChIKey
XIOWKWJXDQTVCE-UHFFFAOYSA-N- Molecular formula
- C11H12N6O4
- Average molar mass
- 292.25 g/mol
- Monoisotopic mass
- 292.09200289
Names & identifiers
- Preferred name
- 4-Amino-1-pentofuranosyl-1h-pyrazolo[3,4-d]pyrimidine-3-carbonitrile
- IUPAC
- 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carbonitrile
Names & synonyms
55559-55-24-amino-1-pentofuranosyl-1h-pyrazolo[3,4-d]pyrimidine-3-carbonitrileNSC172600DTXSID90299663NSC131915ZINC01719424NSC-131915NSC-172600
Database identifiers
- CAS
55559-55-2- PubChem CID
- 280328
- DTXSID
DTXSID90299663
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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