2-(Hydroxymethyl)-5-(4-methylsulfanylpyrazolo[3,4-b]pyridin-1-yl)oxolane-3,4-diol
Basic information
- CAS
49834-65-3- Standard SMILES
CSc1ccnc2c1cnn2C1OC(CO)C(O)C1O- InChIKey
JJVODHSIZMWOIT-UHFFFAOYSA-N- Molecular formula
- C12H15N3O4S
- Average molar mass
- 297.33 g/mol
- Monoisotopic mass
- 297.07832714
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-5-(4-methylsulfanylpyrazolo[3,4-b]pyridin-1-yl)oxolane-3,4-diol
- IUPAC
- 2-(hydroxymethyl)-5-(4-methylsulfanylpyrazolo[3,4-b]pyridin-1-yl)oxolane-3,4-diol
Names & synonyms
NSC21328449834-65-3DTXSID10309672NSC-2132844-(Methylsulfanyl)-1-pentofuranosyl-1H-pyrazolo[3,4-b]pyridine
Database identifiers
- CAS
49834-65-3- PubChem CID
- 310048
- DTXSID
DTXSID10309672
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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