Basic information
- Standard SMILES
Cc1ccc(N=Nc2ccc(NC(=O)Nc3ccc(N=Nc4ccc(C)c(S(=O)(=O)O)c4)c(NC(=O)CO)c3)cc2NC(=O)CO)cc1S(=O)(=O)O- InChIKey
IRJYTEISOYWSIR-UHFFFAOYSA-N- Molecular formula
- C31H30N8O11S2
- Average molar mass
- 754.8 g/mol
- Monoisotopic mass
- 754.14754615
Names & identifiers
- Preferred name
- 5-[[2-[(2-Hydroxyacetyl)amino]-4-[[3-[(2-hydroxyacetyl)amino]-4-[(4-methyl-3-sulfophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]-2-methylbenzenesulfonic acid
- IUPAC
- 5-[[2-[(2-hydroxyacetyl)amino]-4-[[3-[(2-hydroxyacetyl)amino]-4-[(4-methyl-3-sulfophenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]-2-methylbenzenesulfonic acid
Database identifiers
- PubChem CID
- 166314
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 315 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 12
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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