178454-81-4
Product Name:
(3AR,4R,5R,6aS)-4-((E)-4-(3-Chlorophenoxy)-3-oxobut-1-en-1-yl)-2-oxohexahydro-2H-cyclopenta[b]fur
Formula:
C24H21ClO6
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COMPUTED DESCRIPTORS
| Molecular Weight | 440.9 g/mol |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 440.1026661 g/mol |
| Monoisotopic Mass | 440.1026661 g/mol |
| Topological Polar Surface Area | 78.9 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 700 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |