2-(Hydroxymethyl)-5-(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)oxolane-3,4-diol
Basic information
- CAS
60355-67-1- Standard SMILES
CSc1ncnc2c1cnn2C1OC(CO)C(O)C1O- InChIKey
MNNOKJSDVULTAU-UHFFFAOYSA-N- Molecular formula
- C11H14N4O4S
- Average molar mass
- 298.32 g/mol
- Monoisotopic mass
- 298.07357611
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-5-(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)oxolane-3,4-diol
- IUPAC
- 2-(hydroxymethyl)-5-(4-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)oxolane-3,4-diol
Names & synonyms
60355-67-14-(methylsulfanyl)-1-pentofuranosyl-1h-pyrazolo[3,4-d]pyrimidineNSC1548192-(hydroxymethyl)-5-(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)oxolane-3,4-diolDTXSID10975770NSC-154819
Database identifiers
- CAS
60355-67-1- PubChem CID
- 290683
- DTXSID
DTXSID10975770
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
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Compound notes
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