Tapadmg
N-[4-[(2S,3R,4R,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-2,2,2-trifluoroacetamide
Also Known As: Tapadmg|N-[4-[(2S,3R,4R,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-2,2,2-trifluoroacetamide|4-(Trifluoroacetamido)phenyl-2-acetamido-2-deoxy-4-O-beta-mannopyranosyl-beta-glucopyranoside|Acetamide, N-(4-((2-(acetylamino)-2-deoxy-4-O-beta-D-mannopyranosyl-beta-D-glucopyranosyl)oxy)phenyl)-2,2,2-trifluoro-, (R)-|n-(4-{[(4xi)-2-(acetylamino)-2-deoxy-4-o-(|A-d-mannopyranosyl)-|A-d-xylo-hexopyranosyl]oxy}phenyl)-2,2,2-trifluoroacetamide|N-[4-({(4xi)-2-Deoxy-2-[(1-hydroxyethylidene)amino]-4-O-beta-D-mannopyranosyl-beta-D-xylo-hexopyranosyl}oxy)phenyl]-2,2,2-trifluoroacetamide|N-[4-({2-Deoxy-4-O-hexopyranosyl-2-[(1-hydroxyethylidene)amino]hexopyranosyl}oxy)phenyl]-2,2,2-trifluoroacetamide
| Molecular Formula | C22H29F3N2O12 |
|---|---|
| Molecular Weight | 570.16724 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 570.16724 |
| Monoisotopic Mass | 570.16724 |
| Heavy Atoms | 39 |
| Complexity | 831.0 |
Chemical Identifiers
| CAS Number | 98533-44-9 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H](C([C@H](O[C@H]1OC2=CC=C(C=C2)NC(=O)C(F)(F)F)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
| InChIKey | SJWYSIVCIHYIKL-OYKAZAFASA-N |
Product Overview
Tapadmg (CAS 98533-44-9), with molecular formula C22H29F3N2O12 and molecular weight 570.16724 g/mol. IUPAC: N-[4-[(2S,3R,4R,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-2,2,2-trifluoroacetamide.