21087-78-5
Product Name:
GLUCOBARBARIN
Formula:
C15H20NO10S2.K
Synonyms:
(2S)-2-Hydroxy-2-phenylethylglucosinolate potassium salt
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H317:Sensitisation, Skin |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 477.6 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 8 |
| Exact Mass | 477.01656967 g/mol |
| Monoisotopic Mass | 477.01656967 g/mol |
| Topological Polar Surface Area | 223 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 625 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |