Tetrasodium;2-[2-[2-[2-[bis(carboxylatomethyl)amino]-5-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxylatomethyl)-4-methylanilino]acetate

Base Information

• Chemical Name: Tetrasodium;2-[2-[2-[2-[bis(carboxylatomethyl)amino]-5-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxylatomethyl)-4-methylanilino]acetate
• CAS No.: 208709-26-6
• Molecular Formula: C31H27N3O15.4Na
• Molecular Weight: 773.52
• DSSTox Substance ID: DTXSID90584945
• Mol file: 208709-26-6.mol

Synonyms:208709-26-6;Tetrasodium;2-[2-[2-[2-[bis(carboxylatomethyl)amino]-5-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxylatomethyl)-4-methylanilino]acetate;NITR 5 TETRASODIUM SALT*;DTXSID90584945;Tetrasodium 2,2'-{[2-(2-{2-[bis(carboxylatomethyl)amino]-5-[hydroxy(6-nitro-2H-1,3-benzodioxol-5-yl)methyl]phenoxy}ethoxy)-4-methylphenyl]azanediyl}diacetate

Chemical Property of Tetrasodium;2-[2-[2-[2-[bis(carboxylatomethyl)amino]-5-[hydroxy-(6-nitro-1,3-benzodioxol-5-yl)methyl]phenoxy]ethoxy]-N-(carboxylatomethyl)-4-methylanilino]acetate

Chemical Property:

• PSA: 269.97000
• LogP: -2.69300
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 13
• Exact Mass: 773.10329429
• Heavy Atom Count: 53
• Complexity: 1120

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)N(CC(=O)[O-])CC(=O)[O-])OCCOC2=C(C=CC(=C2)C(C3=CC4=C(C=C3[N+](=O)[O-])OCO4)O)N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]