3-Hydroxy-6-(((5-hydroxy-6-((2-methylphenyl)diazenyl)-7-sulfo-2-naphthyl)carbamoyl)amino)-2-((2-methyl-4-sulfophenyl)diazenyl)-1-naphthalenesulfonic acid
Basic information
- CAS
82952-58-7- Standard SMILES
Cc1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(NC(=O)Nc3ccc4c(S(=O)(=O)O)c(N=Nc5ccc(S(=O)(=O)O)cc5C)c(O)cc4c3)ccc2c1O- InChIKey
NEEAHSGZHHYWDL-UHFFFAOYSA-N- Molecular formula
- C35H28N6O12S3
- Average molar mass
- 820.8 g/mol
- Monoisotopic mass
- 820.09273387
Names & identifiers
- Preferred name
- 3-Hydroxy-6-(((5-hydroxy-6-((2-methylphenyl)diazenyl)-7-sulfo-2-naphthyl)carbamoyl)amino)-2-((2-methyl-4-sulfophenyl)diazenyl)-1-naphthalenesulfonic acid
- IUPAC
- 4-hydroxy-7-[[7-hydroxy-6-[(2-methyl-4-sulfophenyl)diazenyl]-5-sulfonaphthalen-2-yl]carbamoylamino]-3-[(2-methylphenyl)diazenyl]naphthalene-2-sulfonic acid
Names & synonyms
DTXSID8010247243-Hydroxy-6-(((5-hydroxy-6-((2-methylphenyl)diazenyl)-7-sulfo-2-naphthyl)carbamoyl)amino)-2-((2-methyl-4-sulfophenyl)diazenyl)-1-naphthalenesulfonic acid82952-58-7
Database identifiers
- CAS
82952-58-7- PubChem CID
- 80886
- DTXSID
DTXSID801024724
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 319 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 9
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,780
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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