Basic information
- CAS
53458-36-9- Standard SMILES
CS(=O)(=O)CC1OC(n2nnc3c(N)ncnc32)C(O)C1O- InChIKey
GGSYBNSMYPMADW-UHFFFAOYSA-N- Molecular formula
- C10H14N6O5S
- Average molar mass
- 330.32 g/mol
- Monoisotopic mass
- 330.07463874
Names & identifiers
- Preferred name
- 2-(7-Aminotriazolo[4,5-d]pyrimidin-3-yl)-5-(methylsulfonylmethyl)oxolane-3,4-diol
- IUPAC
- 2-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-5-(methylsulfonylmethyl)oxolane-3,4-diol
Names & synonyms
53458-36-9NSC204812DTXSID40308537ZINC01740210NSC-2048123-[5-Deoxy-5-(methanesulfonyl)pentofuranosyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
Database identifiers
- CAS
53458-36-9- PubChem CID
- 307103
- DTXSID
DTXSID40308537
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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