Basic information
- CAS
55559-56-3- Standard SMILES
NC(=O)c1nn(C2OC(CO)C(O)C2O)c2ncnc(N)c12- InChIKey
SIZLYHVFGJCQJB-UHFFFAOYSA-N- Molecular formula
- C11H14N6O5
- Average molar mass
- 310.27 g/mol
- Monoisotopic mass
- 310.10256757
Names & identifiers
- Preferred name
- 4-Amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
- IUPAC
- 4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
Names & synonyms
55559-56-3NSC-1666014-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carboxamide4 APPR 24DTXSID50970901NSC1666014-Amino-1-pentofuranosyl-1H-pyrazolo[3,4-d]pyrimidine-3-carboximidic acid
Database identifiers
- CAS
55559-56-3- PubChem CID
- 296444
- DTXSID
DTXSID50970901
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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