35048-47-6
Product Name:
1,3,5[10]-ESTRATRIENE-3,17-DIOL-6-ONE 6-[O-CARBOXYMETHYL]OXIME
Formula:
C20H25NO5
Synonyms:
β-Estradiol-6-(O-carboxymethyl)oxime;1,3,5(10)-Estratriene-3,17β-diol-6-one6-(O-carboxymethyloxime);3,17β-Dihydroxy-1,3,5(10)-estratriene 6-(O-carboxymethyl)oxime;6-Ketoestradiol 6-(O-carboxymethyloxime)
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COMPUTED DESCRIPTORS
| Molecular Weight | 359.4 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 359.17327290 g/mol |
| Monoisotopic Mass | 359.17327290 g/mol |
| Topological Polar Surface Area | 99.4 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 593 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |