Basic information
- CAS
53458-33-6- Standard SMILES
Nc1ncnc2c1nnn2C1OC(CCl)C(O)C1O- InChIKey
NNDBDQSKRWFREU-UHFFFAOYSA-N- Molecular formula
- C9H11ClN6O3
- Average molar mass
- 286.67 g/mol
- Monoisotopic mass
- 286.0581159
Names & identifiers
- Preferred name
- 2-(7-Aminotriazolo[4,5-d]pyrimidin-3-yl)-5-(chloromethyl)oxolane-3,4-diol
- IUPAC
- 2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-5-(chloromethyl)oxolane-3,4-diol
Names & synonyms
53458-33-6NSC166162DTXSID00304535ZINC01655535NSC-1661623-(5-chloro-5-deoxypentofuranosyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
Database identifiers
- CAS
53458-33-6- PubChem CID
- 296240
- DTXSID
DTXSID00304535
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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