1,1'-[(1,7-Dioxoheptane-1,7-diyl)bis(oxy)]bis(2,5-dioxopyrrolidine-3-sulfonic acid)

Base Information

• Chemical Name: 1,1'-[(1,7-Dioxoheptane-1,7-diyl)bis(oxy)]bis(2,5-dioxopyrrolidine-3-sulfonic acid)
• CAS No.: 215597-92-5
• Molecular Formula: C15H18 N2 O14 S2
• Molecular Weight: 514.43800
• DSSTox Substance ID: DTXSID20704412
• Mol file: 215597-92-5.mol

Synonyms:215597-92-5;1,1'-[(1,7-Dioxoheptane-1,7-diyl)bis(oxy)]bis(2,5-dioxopyrrolidine-3-sulfonic acid);1-[7-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxy-7-oxoheptanoyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid;DTXSID20704412;FT-0623276

Chemical Property of 1,1'-[(1,7-Dioxoheptane-1,7-diyl)bis(oxy)]bis(2,5-dioxopyrrolidine-3-sulfonic acid)

Chemical Property:

• PKA: -0.34±0.20(Predicted)
• PSA: 252.86000
• Density: 1.84±0.1 g/cm3(Predicted)
• LogP: -0.07870
• Storage Temp.: −20°C
• Solubility.: H2O: 10 mg/mL
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 12
• Exact Mass: 514.01994560
• Heavy Atom Count: 33
• Complexity: 999

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(=O)N(C1=O)OC(=O)CCCCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)O)S(=O)(=O)O

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