951382-34-6
Product Name:
L-Proline compd. with (1S)-1,5-anhydro-1-C-[3-(benzo[b]thien-2-ylmethyl)-4-fluorophenyl]-D-glucitol (1:1)
Formula:
C21H21FO5S.C5H9NO2
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COMPUTED DESCRIPTORS
| Molecular Weight | 519.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 5 |
| Exact Mass | 519.17270163 g/mol |
| Monoisotopic Mass | 519.17270163 g/mol |
| Topological Polar Surface Area | 168 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 628 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |