242130-33-2
Product Name:
(17a)-17-(Acetyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-3-yl--D-Glucopyranosiduronic Acid Methyl Ester Triacetate
Formula:
C35H42O12
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 654.7 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 13 |
| Exact Mass | 654.26762677 g/mol |
| Monoisotopic Mass | 654.26762677 g/mol |
| Topological Polar Surface Area | 150 Ų |
| Heavy Atom Count | 47 |
| Formal Charge | 0 |
| Complexity | 1300 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |