2-(Hydroxymethyl)-5-(7-methylsulfanylpyrazolo[5,4-e]pyrimidin-1-yl)oxolane-3,4-diol
Basic information
- CAS
67221-52-7- Standard SMILES
CSc1ncnc2cnn(C3OC(CO)C(O)C3O)c12- InChIKey
UDVOKMRDBBWTTQ-UHFFFAOYSA-N- Molecular formula
- C11H14N4O4S
- Average molar mass
- 298.32 g/mol
- Monoisotopic mass
- 298.07357611
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-5-(7-methylsulfanylpyrazolo[5,4-e]pyrimidin-1-yl)oxolane-3,4-diol
- IUPAC
- 2-(hydroxymethyl)-5-(7-methylsulfanylpyrazolo[4,5-d]pyrimidin-1-yl)oxolane-3,4-diol
Names & synonyms
67221-52-7NSC2643112-(hydroxymethyl)-5-(7-methylsulfanylpyrazolo[5,4-e]pyrimidin-1-yl)oxolane-3,4-diolDTXSID10312924NSC-2643111H-Pyrazolo[4, 7-(methylthio)-1-.beta.-D-ribofuranosyl-7-(Methylsulfanyl)-1-pentofuranosyl-1H-pyrazolo[4,3-d]pyrimidine
Database identifiers
- CAS
67221-52-7- PubChem CID
- 319650
- DTXSID
DTXSID10312924
Properties
Computed structural properties
- XLogP
- -0.8
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…