5-(Acetylamino)-4-hydroxy-3-((4-methoxy-3-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonic acid
Basic information
- CAS
23622-54-0- Standard SMILES
COc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(NC(C)=O)c3c2O)cc1S(=O)(=O)CCOS(=O)(=O)O- InChIKey
VZLZQCMLVISMIY-UHFFFAOYSA-N- Molecular formula
- C21H21N3O15S4
- Average molar mass
- 683.7 g/mol
- Monoisotopic mass
- 682.98555167
Names & identifiers
- Preferred name
- 5-(Acetylamino)-4-hydroxy-3-((4-methoxy-3-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonic acid
- IUPAC
- 5-acetamido-4-hydroxy-3-[[4-methoxy-3-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonic acid
- English name
- 5-(acetylamino)-4-hydroxy-3-[[4-methoxy-3-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic acid
- Molecular formula
- C21H21N3O15S4
- Molecular weight
- 683.66
Names & synonyms
23622-54-0EINECS 245-791-55-(Acetylamino)-4-hydroxy-3-((4-methoxy-3-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonic acidSCHEMBL13880652VZLZQCMLVISMIY-UHFFFAOYSA-NDTXSID401105015NS000852635-(Acetylamino)-4-hydroxy-3-[2-[4-methoxy-3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-2,7-naphthalenedisulfonic acid5-Acetylamino-4-hydroxy-3-[[4-methoxy-3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-2,7-naphthalenedisulfonic acid5-(acetylamino)-4-hydroxy-3-[[4-methoxy-3-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic acid2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[2-[4-methoxy-3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-
Database identifiers
- CAS
23622-54-0- PubChem CID
- 90216
- DTXSID
DTXSID401105015- EC Number
- 245-791-5
- Nikkaji
- J229.023E
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 323 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,460
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Compound notes
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