Corynetoxin VI
(E)-N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-14-methylhexadec-2-enamide
Also Known As: Corynetoxin VI|Thiocyanate, fluorine|N'-(14-Meihyl-2-hexadecenoyf)|2,4(1H,3H)-Pyrimidinedione, 1-((11S)-11-O-(2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyl)-6,10-dideoxy-10-(((2E)-14-methyl-1-oxo-2-hexadecenyl)amino)-L-galacto-beta-D-allo-undecodialdo-1,4-furanose-11,7-pyranos-1-yl)-|(E)-N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-14-methylhexadec-2-enamide
| Molecular Formula | C40H66N4O16 |
|---|---|
| Molecular Weight | 858.4474 g/mol |
| LogP | -1.6981 |
| Topological Polar Surface Area | 311.82 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 22 |
| Exact Mass | 858.4474 |
| Monoisotopic Mass | 858.4474 |
| Heavy Atoms | 60 |
| Complexity | 1627.6613 |
Chemical Identifiers
| CAS Number | 82151-57-3 |
|---|---|
| SMILES | CCC(C)CCCCCCCCCC/C=C/C(=O)NC1C(C(C(OC1OC2C(C(C(C(O2)CO)O)O)NC(=O)C)CC(C3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O)O |
Product Overview
Corynetoxin VI (CAS 82151-57-3), with molecular formula C40H66N4O16 and molecular weight 858.4474 g/mol. IUPAC: (E)-N-[2-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]-14-methylhexadec-2-enamide.