5-[2-[4-[2-[4-[2-(6-Amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-2-hydroxybenzoic acid
Basic information
- CAS
25180-35-2- Standard SMILES
Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(N=Nc5ccc(O)c(C(=O)O)c5)c5ccc(S(=O)(=O)O)cc45)c4ccccc34)c(S(=O)(=O)O)cc2c1- InChIKey
BQJXALLWSVRIIR-UHFFFAOYSA-N- Molecular formula
- C37H25N7O10S2
- Average molar mass
- 791.8 g/mol
- Monoisotopic mass
- 791.11043237
Names & identifiers
- Preferred name
- 5-[2-[4-[2-[4-[2-(6-Amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-2-hydroxybenzoic acid
- IUPAC
- 5-[[4-[[4-[(6-amino-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl]naphthalen-1-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-2-hydroxybenzoic acid
Names & synonyms
25180-35-25-[2-[4-[2-[4-[2-(6-Amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-2-hydroxybenzoic acidDTXSID301100450
Database identifiers
- CAS
25180-35-2- PubChem CID
- 19694
- DTXSID
DTXSID301100450- EC Number
- 607-597-2
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 303 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 9
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 1,710
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Compound notes
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