Basic information
- CAS
53458-47-2- Standard SMILES
Nc1ncnc2c1cnn2C1OC(CCl)C(O)C1O- InChIKey
NYTWQOXTRVIKDK-UHFFFAOYSA-N- Molecular formula
- C10H12ClN5O3
- Average molar mass
- 285.69 g/mol
- Monoisotopic mass
- 285.062867
Names & identifiers
- Preferred name
- 2-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(chloromethyl)oxolane-3,4-diol
- IUPAC
- 2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-5-(chloromethyl)oxolane-3,4-diol
Names & synonyms
53458-47-2NSC166161DTXSID40304534NSC-1661611-(5-chloro-5-deoxypentofuranosyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Database identifiers
- CAS
53458-47-2- PubChem CID
- 296239
- DTXSID
DTXSID40304534
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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