Basic information
- CAS
61038-38-8- Standard SMILES
CSc1ncnc2c1nnn2C1OC(CO)C(O)C1O- InChIKey
HEJKQJOMZUUYIM-UHFFFAOYSA-N- Molecular formula
- C10H13N5O4S
- Average molar mass
- 299.31 g/mol
- Monoisotopic mass
- 299.06882509
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)oxolane-3,4-diol
- IUPAC
- 2-(hydroxymethyl)-5-(7-methylsulfanyltriazolo[4,5-d]pyrimidin-3-yl)oxolane-3,4-diol
Names & synonyms
NSC16617161038-38-8DTXSID60304536NSC-1661717-(Methylsulfanyl)-3-pentofuranosyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine3H-1,3-Triazolo[4,5-d]pyrimidine, 7-(methylthio)-3-.beta.-D-ribofuranosyl-
Database identifiers
- CAS
61038-38-8- PubChem CID
- 296246
- DTXSID
DTXSID60304536
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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