pentasodium;2-[[5-[(Z)-[3-[[bis(carboxylatomethyl)amino]methyl]-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene]-(2-sulfonatophenyl)methyl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxylatomethyl)amino]acetate

Base Information

• Chemical Name: pentasodium;2-[[5-[(Z)-[3-[[bis(carboxylatomethyl)amino]methyl]-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene]-(2-sulfonatophenyl)methyl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxylatomethyl)amino]acetate
• CAS No.: 4310-80-9
• Molecular Formula: C37H44 N2 O13 S . 5 Na
• Molecular Weight: 866.73
• Mol file: 4310-80-9.mol

Synonyms:4310-80-9;pentasodium;2-[[5-[(Z)-[3-[[bis(carboxylatomethyl)amino]methyl]-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene]-(2-sulfonatophenyl)methyl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxylatomethyl)amino]acetate;Glycine, N-((3-((3-((bis(carboxymethyl)amino)methyl)-4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)(2-sulfophenyl)methylene)-2-methyl-5-(1-methylethyl)-6-oxo-1,4-cyclohex adien-1-yl)methyl)-N-(carboxymethyl)-, pentasodium salt;AKOS024375460

Chemical Property of pentasodium;2-[[5-[(Z)-[3-[[bis(carboxylatomethyl)amino]methyl]-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene]-(2-sulfonatophenyl)methyl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxylatomethyl)amino]acetate

Chemical Property:

• Boiling Point: 891.6°Cat760mmHg
• Flash Point: 493°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 12
• Exact Mass: 866.1661319
• Heavy Atom Count: 58
• Complexity: 1560

Purity/Quality:

99% ^*data from raw suppliers

GLYCINE-N-[[3-[[3-[[BIS(CARBOXYMETHYL)AMINO]METHYL]-4-HYDROXY-2-METHYL-5-(1-METHYLETHYL)PHENYL]-(2-SULFOPHENYL)METHYLENE]-2-METHYL-5-(1-METHYLETHYL)-6-OXO-1,4-CYCLOHEXADIEN-1-YL]METHYL]-N-(CARBOXYMETHYL)PENTASODIUM SALT 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C(=C1CN(CC(=O)[O-])CC(=O)[O-])O)C(C)C)C(=C2C=C(C(=O)C(=C2C)CN(CC(=O)[O-])CC(=O)[O-])C(C)C)C3=CC=CC=C3S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
• Isomeric SMILES: CC1=C(C=C(C(=C1CN(CC(=O)[O-])CC(=O)[O-])O)C(C)C)/C(=C/2\C=C(C(=O)C(=C2C)CN(CC(=O)[O-])CC(=O)[O-])C(C)C)/C3=CC=CC=C3S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]