Basic information
- CAS
106301-46-6- Standard SMILES
Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1N=Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(N=Nc4c(N)ccc5cc(S(=O)(=O)O)cc(O)c45)c(S(=O)(=O)O)c3)cc2)cc1S(=O)(=O)O- InChIKey
VWOMNDOZUSIURK-UHFFFAOYSA-N- Molecular formula
- C40H30N8O16S4
- Average molar mass
- 1,007 g/mol
- Monoisotopic mass
- 1,006.06626159
Names & identifiers
- Preferred name
- 2-Naphthalenesulfonic acid, 5,5'-(terephthaloylbis(imino(2-sulfo-p-phenylene)azo))bis(6-amino-4-hydroxy-
- IUPAC
- 6-amino-5-[[4-[[4-[[4-[(2-amino-8-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]-3-sulfophenyl]carbamoyl]benzoyl]amino]-2-sulfophenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Names & synonyms
CHEMBL1092089NSC65863NSC 65863106301-46-62-Naphthalenesulfonic acid, 5,5'-(terephthaloylbis(imino(2-sulfo-p-phenylene)azo))bis(6-amino-4-hydroxy-2-Naphthalenesulfonic acid, 5,5'-[terephthaloylbis[imino(2-sulfo-p-phenylene)azo]]bis[6-amino-4-hydroxy-BDBM50316075NSC-658632-Naphthalenesulfonic acid,5'-[1,4-phenylenebis- (carbonylimino-2-sulfo-4,1-phenyleneazo)bis[6-amino-4- hydroxy, tetrasodium salt6-amino-5-[(E)-[4-[[4-[[4-[(E)-(2-amino-8-hydroxy-6-sulfo-1-naphthyl)azo]-3-sulfo-phenyl]carbamoyl]benzoyl]amino]-2-sulfo-phenyl]azo]-4-hydroxy-naphthalene-2-sulfonic acid6-amino-5-[(E)-2-(4-{[4-({4-[(E)-2-(2-amino-8-hydroxy-6-sulfonaphthalen-1-yl)diazen-1-yl]-3-sulfophenyl}carbamoyl)benzene]amido}-2-sulfophenyl)diazen-1-yl]-4-hydroxynaphthalene-2-sulfonic acid
Database identifiers
- CAS
106301-46-6- PubChem CID
- 415014
- ChEMBL
CHEMBL1092089
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 451 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 12
- Heavy atoms
- 68
- Formal charge
- 0
- Complexity
- 2,170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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