89797-00-2
Product Name:
IODIXANOL RELATED COMPOUND D (50 MG) (5-[ACETYL(2-HYDROXY-3-METHYLPROPYL)AMINO]-N,N'-BIS(2,3-DIHYDROXYPROPYL)2,4,6-TRIIODO-1,3-BENZE-NEDICARBOXAMIDE)
Formula:
C20H28I3N3O9
Synonyms:
5-[Acetyl(2-hydroxy-3-methylpropyl)amino]-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide;Iopentol
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COMPUTED DESCRIPTORS
| Molecular Weight | 835.2 g/mol |
|---|---|
| XLogP3 | -2.5 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 13 |
| Exact Mass | 834.8960 g/mol |
| Monoisotopic Mass | 834.8960 g/mol |
| Topological Polar Surface Area | 189 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 668 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Iopentol is an amidobenzoic acid.