499-30-9
Product Name:
PHENETHYL GLUCOSINOLATE POTASSIUM SALT
Formula:
C15H21NO9S2
Synonyms:
2-Phenylethylglucosinolate potassium salt
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COMPUTED DESCRIPTORS
| Molecular Weight | 423.5 g/mol |
|---|---|
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 8 |
| Exact Mass | 423.06577359 g/mol |
| Monoisotopic Mass | 423.06577359 g/mol |
| Topological Polar Surface Area | 200 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 589 |
| 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 |