208589-93-9
Product Name:
ISOPROPYL-BETA-D-THIOGLUCURONIC ACID, SODIUM SALT
Formula:
C9H17NaO6S
Synonyms:
IPTGlcA · Na;Isopropyl β-D -thioglucuronic acid sodium salt
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COMPUTED DESCRIPTORS
| Molecular Weight | 274.27 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 274.04870365 g/mol |
| Monoisotopic Mass | 274.04870365 g/mol |
| Topological Polar Surface Area | 135 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 264 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |