6-Acetamido-4-hydroxy-3-({3-[2-(sulfooxy)ethanesulfonyl]phenyl}diazenyl)naphthalene-2-sulfonic acid
Basic information
- CAS
105895-74-7- Standard SMILES
CC(=O)Nc1ccc2cc(S(=O)(=O)O)c(N=Nc3cccc(S(=O)(=O)CCOS(=O)(=O)O)c3)c(O)c2c1- InChIKey
POHXOGRTDQNNFM-UHFFFAOYSA-N- Molecular formula
- C20H19N3O11S3
- Average molar mass
- 573.6 g/mol
- Monoisotopic mass
- 573.01817195
Names & identifiers
- Preferred name
- 6-Acetamido-4-hydroxy-3-({3-[2-(sulfooxy)ethanesulfonyl]phenyl}diazenyl)naphthalene-2-sulfonic acid
- IUPAC
- 6-acetamido-4-hydroxy-3-[[3-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid
Names & synonyms
105895-74-7SCHEMBL5000589SCHEMBL5000592DTXSID408643256-Acetamido-4-hydroxy-3-({3-[2-(sulfooxy)ethanesulfonyl]phenyl}diazenyl)naphthalene-2-sulfonic acid
Database identifiers
- CAS
105895-74-7- PubChem CID
- 5086911
- DTXSID
DTXSID40864325
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 251 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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