21085-72-3
Product Name:
ACETOBROMO-ALPHA-D-GLUCURONIC ACID METHYL ESTER
Formula:
C13H17BrO9
Synonyms:
(2,3,4-Tri-O-acetyl-α-D -glucopyranosyl bromide)uronic acid methyl ester;Bromo-2,3,4-tri-O-acetyl-α-D -glucopyranuronic acid methyl ester;Methyl acetobromo-α-D -glucuronate
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
| Molecular Weight | 397.17 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 396.00559 g/mol |
| Monoisotopic Mass | 396.00559 g/mol |
| Topological Polar Surface Area | 114 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 492 |
| 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 |
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