2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[[4-[[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]carbonyl]phenyl]azo]-

Base Information

• Chemical Name: 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[[4-[[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]carbonyl]phenyl]azo]-
• CAS No.: 13588-33-5
• Molecular Formula: C27H24 N4 O15 S4
• Molecular Weight: 772.76
• DSSTox Substance ID: DTXSID2065547
• Nikkaji Number: J312.421E
• Mol file: 13588-33-5.mol

Synonyms:13588-33-5;2,7-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 acid;2,7-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)-;DTXSID2065547;SCHEMBL13880682;C27H24N4O15S4;C27-H24-N4-O15-S4;5-(Acetylamino)-4-hydroxy-3-[[4-[[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]carbonyl]phenyl]azo]-2,7-naphthalenedisulfonic acid

Chemical Property of 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[[4-[[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]carbonyl]phenyl]azo]-

Chemical Property:

• PKA: -3.90±0.18(Predicted)
• PSA: 343.15000
• Density: 1.75g/cm³
• LogP: 6.74890
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 12
• Exact Mass: 772.01210077
• Heavy Atom Count: 50
• Complexity: 1690

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C(=C2O)N=NC3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O