Basic information
- CAS
13588-33-5- Standard SMILES
CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc(C(=O)Nc4cccc(S(=O)(=O)CCOS(=O)(=O)O)c4)cc3)c(O)c12- InChIKey
FKWCJJJNJSITMZ-UHFFFAOYSA-N- Molecular formula
- C27H24N4O15S4
- Average molar mass
- 772.8 g/mol
- Monoisotopic mass
- 772.01210077
Names & identifiers
- Preferred name
- 5-(Acetylamino)-4-hydroxy-3-(2-(4-(((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)carbonyl)phenyl)diazenyl)-2,7-naphthalenedisulfonic acid
- IUPAC
- 5-acetamido-4-hydroxy-3-[[4-[[3-(2-sulfooxyethylsulfonyl)phenyl]carbamoyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid
- English name
- 7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[[4-[[[3-[[2-(sulfooxy)ethyl]sulfonyl]phen2
- Molecular formula
- C27H24N4O15S4
- Molecular weight
- 772.76
Names & synonyms
13588-33-55-(Acetylamino)-4-hydroxy-3-[2-[4-[[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]carbonyl]phenyl]diazenyl]-2,7-naphthalenedisulfonic acid5-(Acetylamino)-4-hydroxy-3-(2-(4-(((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)carbonyl)phenyl)diazenyl)-2,7-naphthalenedisulfonic acidRefChem:3001722,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[[4-[[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]carbonyl]phenyl]azo]-5-Acetamido-4-hydroxy-3-[[4-[[3-(2-sulfooxyethylsulfonyl)phenyl]carbamoyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-((4-(((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)carbonyl)phenyl)azo)-2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-(2-(4-(((3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)carbonyl)phenyl)diazenyl)-2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[2-[4-[[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]carbonyl]phenyl]diazenyl]-FCH8V44UGTDTXSID2065547
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 343 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 12
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,690
Physicochemical properties
- Density
- 1.75 · 1.75±0.1 g/cm3(Predicted)
- pka
- -3.9 · -3.90±0.18(Predicted)
- EPA Substance Registry System
- 2 · 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[[4-[[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]carbonyl]phenyl]azo]- (13588-33-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[2-[4-[[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]carbonyl]phenyl]diazenyl]-: ACTIVE
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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