Iopanoate glucuronide

Base Information

• Chemical Name: Iopanoate glucuronide
• CAS No.: 58051-18-6
• Molecular Formula: C17H20I3NO8
• Molecular Weight: 747.056
• DSSTox Substance ID: DTXSID30973632
• Mol file: 58051-18-6.mol

Synonyms:IOP-G;iopanoate glucuronide

Chemical Property of Iopanoate glucuronide

Chemical Property:

• Vapor Pressure: 5.1E-23mmHg at 25°C
• Boiling Point: 740.4°Cat760mmHg
• Flash Point: 401.6°C
• PSA: 159.54000
• Density: 2.39g/cm³
• LogP: 1.66790
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 746.8323
• Heavy Atom Count: 29
• Complexity: 599

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O
• Isomeric SMILES: CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O