AC1Q3RIX
[6-(2-acetamido-4-chlorophenyl)sulfanyl-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
Also Known As: n-{5-chloro-2-[(2,3,4,6-tetra-o-acetylhexopyranosyl)thio]phenyl}acetamide|5'-Chloro-2'-(betaD-glucopyranosylthio)acetanilide, tetraacetate|5'-CHLORO-2'-(.BETA.D-GLUCOPYRANOSYLTHIO)ACETANILIDE, TETRAACETATE|[6-(2-acetamido-4-chlorophenyl)sulfanyl-3,4,5-triacetyloxyoxan-2-yl]methyl acetate|N-{5-Chloro-2-[(2,3,4,6-tetra-O-acetylhexopyranosyl)thio]phenyl}ethanimidic acid
| Molecular Formula | C22H26ClNO10S |
|---|---|
| Molecular Weight | 531.0966 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 531.0966 |
| Monoisotopic Mass | 531.0966 |
| Heavy Atoms | 35 |
| Complexity | 811.0 |
Chemical Identifiers
| CAS Number | 28358-79-4 |
|---|---|
| SMILES | CC(=O)NC1=C(C=CC(=C1)Cl)SC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | CNMWZCBZVJVEMC-UHFFFAOYSA-N |
Product Overview
AC1Q3RIX (CAS 28358-79-4), with molecular formula C22H26ClNO10S and molecular weight 531.0966 g/mol. IUPAC: [6-(2-acetamido-4-chlorophenyl)sulfanyl-3,4,5-triacetyloxyoxan-2-yl]methyl acetate.
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