2-(7-Amino-5-methylsulfonyltriazolo[4,5-d]pyrimidin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Basic information
- CAS
86480-43-5- Standard SMILES
CS(=O)(=O)c1nc(N)c2nn(C3OC(CO)C(O)C3O)nc2n1- InChIKey
IKKDAOGSYCIMHV-UHFFFAOYSA-N- Molecular formula
- C10H14N6O6S
- Average molar mass
- 346.32 g/mol
- Monoisotopic mass
- 346.06955336
Names & identifiers
- Preferred name
- 2-(7-Amino-5-methylsulfonyltriazolo[4,5-d]pyrimidin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-(7-amino-5-methylsulfonyltriazolo[4,5-d]pyrimidin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
86480-43-5NSC337237DTXSID20318831NSC-3372375-(Methanesulfonyl)-2-pentofuranosyl-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
Database identifiers
- CAS
86480-43-5- PubChem CID
- 333692
- DTXSID
DTXSID20318831
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 544
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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