Basic information
- CAS
80655-40-9- Standard SMILES
O=S(=O)(O)Sc1ncnc2nc[nH]c12.[Na+]- InChIKey
OZCKSUVOPOFAES-UHFFFAOYSA-N- Molecular formula
- C5H4N4NaO3S2+
- Average molar mass
- 255.2 g/mol
- Monoisotopic mass
- 254.96225163
Names & identifiers
- Preferred name
- Tisupurine
- IUPAC
- sodium 6-sulfosulfanyl-7H-purine
Names & synonyms
80655-40-9Tisupurine6-sulfosulfanyl-5H-purineSCHEMBL29649755DTXSID60713260sodium;6-sulfosulfanyl-7H-purineNSC267227NSC-267227DS-005957
Database identifiers
- CAS
80655-40-9- PubChem CID
- 54602000
- DTXSID
DTXSID60713260
Properties
Computed structural properties
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 1
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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