67670-69-3
Product Name:
N-ACETYL-2-CHLORO-2-DEOXYNEURAMINIC ACID METHYL ESTER 4,7,8,9-TETRAACETATE
Formula:
C20H28ClNO12
Synonyms:
N-Acetyl-2-chloro-2-deoxy-β-neuraminic acid methyl ester 4,7,8,9-tetraacetate;5-(Acetylamino)-2-chloro-2,3,5-trideoxy-D -glycero-β-D -galacto-2-nonulopyranosonic acid methyl ester 4,7,8,9-tetraacetate;Methyl N-acetyl-4,7,8,9-tetra-O-acetyl-2-chloro-2-deoxy-β-neuraminate
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation |
COMPUTED DESCRIPTORS
| Molecular Weight | 509.9 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 14 |
| Exact Mass | 509.1300030 g/mol |
| Monoisotopic Mass | 509.1300030 g/mol |
| Topological Polar Surface Area | 170 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 817 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |