CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 221.61 Ų [M+H]+ 211.2 Ų [M-H]- |
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COMPUTED DESCRIPTORS
Molecular Weight | 777.1 g/mol |
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XLogP3 | -2.3 |
Hydrogen Bond Donor Count | 7 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 10 |
Exact Mass | 776.8541 g/mol |
Monoisotopic Mass | 776.8541 g/mol |
Topological Polar Surface Area | 180 Ų |
Heavy Atom Count | 31 |
Formal Charge | 0 |
Complexity | 591 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 2 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Iomeprol is a benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and a glycoloyl(methyl)amino group at the 5-position. It has a role as a radioopaque medium, an environmental contaminant and a xenobiotic. It is a benzenedicarboxamide and an organoiodine compound.