(2R,3R,4R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
Basic information
- CAS
2457-81-0- Standard SMILES
CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O- InChIKey
WUUGFSXJNOTRMR-GZCUOZMLSA-N- Molecular formula
- C11H15N5O3S
- Average molar mass
- 297.34 g/mol
- Monoisotopic mass
- 297.08956053
Names & identifiers
- Preferred name
- (2R,3R,4R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
- IUPAC
- (2R,3R,4R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
Names & synonyms
Xylo-mta(2R,3R,4R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)tetrahydrofuran-3,4-diol5'-CH3S-xyloA(2R,3R,4R,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol9-[5-deoxy-5'-(methylthio)-beta-d-xylofuranosyl]adenine9-[5'-Deoxy-5'-(methylthio)-.beta.-D-xylofuranosyl]-adenine1-(6-Amino-purin-9-yl)-S-methyl-|A-D-5-thio-1-deoxy-xylofuranose
Database identifiers
- CAS
2457-81-0- PubChem CID
- 453683
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 145 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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