62812-42-4
Product Name:
.beta.-D-Glucopyranosiduronic acid, phenyl 1-thio-, methyl ester, triacetate
Formula:
C19H22O9S
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COMPUTED DESCRIPTORS
| Molecular Weight | 426.4 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 10 |
| Exact Mass | 426.09845345 g/mol |
| Monoisotopic Mass | 426.09845345 g/mol |
| Topological Polar Surface Area | 140 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 617 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |