65794-74-3
Product Name:
Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-[(1S)-1-methylpropyl]-, (5'α,8α)- (9CI)
Formula:
C30H37N5O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 547.6 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 547.27946930 g/mol |
| Monoisotopic Mass | 547.27946930 g/mol |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 1150 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |