Basic information
- CAS
5458-50-4- Standard SMILES
Nc1ncnc2nc(N=Nc3ccc(S(=O)(=O)O)cc3)[nH]c12- InChIKey
UODCGYAALBSTPF-UHFFFAOYSA-N- Molecular formula
- C11H9N7O3S
- Average molar mass
- 319.3 g/mol
- Monoisotopic mass
- 319.04875835
Names & identifiers
- Preferred name
- 4-[(2E)-2-(6-Amino-8H-purin-8-ylidene)hydrazinyl]benzene-1-sulfonic acid
- IUPAC
- 4-[(6-amino-7H-purin-8-yl)diazenyl]benzenesulfonic acid
Names & synonyms
5458-50-4DTXSID20714910NSC23585NSC-235854-[(2E)-2-(6-Amino-8H-purin-8-ylidene)hydrazinyl]benzene-1-sulfonic acid4-[(2E)-2-(6-Amino-8H-purin-8-ylidene)hydrazin-1-yl]benzene-1-sulfonic acid
Database identifiers
- CAS
5458-50-4- PubChem CID
- 3521079
- DTXSID
DTXSID20714910
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…