171897-74-8
Product Name:
Deacetyl Iodixanol
Formula:
C33H42I6N6O14
Synonyms:
5-[Acetyl[3-[[3,5-bis[(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodophenyl]amino]-2-hydroxypropyl]amino]-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 1508.1 g/mol |
|---|---|
| XLogP3 | -2.8 |
| Hydrogen Bond Donor Count | 14 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 22 |
| Exact Mass | 1507.7027 g/mol |
| Monoisotopic Mass | 1507.7027 g/mol |
| Topological Polar Surface Area | 331 Ų |
| Heavy Atom Count | 59 |
| Formal Charge | 0 |
| Complexity | 1310 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |