1 Beta-ribofuranosyl-4-(methylmercapto)pyrazolo(3,4-d)pyrimidine
Basic information
- CAS
60355-67-1- Standard SMILES
CSc1ncnc2c1cnn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O- InChIKey
MNNOKJSDVULTAU-KCGFPETGSA-N- Molecular formula
- C11H14N4O4S
- Average molar mass
- 298.32 g/mol
- Monoisotopic mass
- 298.07357611
Overview
RN given refers to (D)-isomer; structure given in first source
Names & identifiers
- Preferred name
- 1 Beta-ribofuranosyl-4-(methylmercapto)pyrazolo(3,4-d)pyrimidine
- IUPAC
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)oxolane-3,4-diol
Names & synonyms
1-Rmmpp1 Beta-ribofuranosyl-4-(methylmercapto)pyrazolo(3,4-d)pyrimidineRefChem:906510SCHEMBL11210339NSC 154819DB-3107741-beta-d-ribofuranosyl-4-methylmercaptopyrazolo-[3,4-d]-pyrimidine1beta-Ribofuranosyl-4-(methylmercapto)pyrazolo(3,4-d)pyrimidine4-(Methylthio)-1-.beta.-D-ribofuranosylpyrazolo[3,4-d]pyrimidine1H-Pyrazolo(3,4-d)pyrimidine, 4-(methylthio)-1-beta-D-ribofuranosyl-(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)tetrahydrofuran-3,4-diol
Database identifiers
- CAS
60355-67-1- PubChem CID
- 98625
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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