4956-19-8
Product Name:
Carda-5,14,20(22)-trienolide, 3-[(iodoacetyl)oxy]-19-oxo-, (3β)- (9CI)
Formula:
C25H29IO5
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COMPUTED DESCRIPTORS
| Molecular Weight | 536.4 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 536.10597 g/mol |
| Monoisotopic Mass | 536.10597 g/mol |
| Topological Polar Surface Area | 69.7 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 917 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |