21973-56-8
Product Name:
1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate]
Formula:
C12H23NO9S3
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COMPUTED DESCRIPTORS
| Molecular Weight | 421.5 g/mol |
|---|---|
| XLogP3 | -0.5 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 10 |
| Exact Mass | 421.05349483 g/mol |
| Monoisotopic Mass | 421.05349483 g/mol |
| Topological Polar Surface Area | 225 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 524 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |