7-Amino-4-hydroxy-3-[2-[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2-naphthalenesulfonic acid
Basic information
- CAS
250705-37-4- Standard SMILES
COc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1N=Nc1c(S(=O)(=O)O)cc2cc(N)ccc2c1O- InChIKey
OZTCBVHOSQZRFP-UHFFFAOYSA-N- Molecular formula
- C19H19N3O11S3
- Average molar mass
- 561.6 g/mol
- Monoisotopic mass
- 561.01817195
Names & identifiers
- Preferred name
- 7-Amino-4-hydroxy-3-[2-[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2-naphthalenesulfonic acid
- IUPAC
- 7-amino-4-hydroxy-3-[[2-methoxy-5-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid
Names & synonyms
DTXSID901109331250705-37-47-Amino-4-hydroxy-3-[2-[2-methoxy-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2-naphthalenesulfonic acid
Database identifiers
- CAS
250705-37-4- PubChem CID
- 165367495
- DTXSID
DTXSID901109331
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 257 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,100
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Compound notes
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