Virginiamycin Complex

Chemical Information
Virginiamycin is a streptogramin antibiotic similar to pristinamycin and quinupristin/dalfopristin. It is a combination of pristinamycin IIA and virginiamycin S1. Virginiamycin is used in the fuel ethanol industry to prevent microbial contamination and in livestock to prevent and treat infections. According to a USDA study, antibiotics can save as much as 30% in feed costs among young swine.
| CAS Number | 11006-76-1 |
| PubChem CID | 127053480 |
| IUPAC Name | N-[(3S,6S,12R,15S,16R,19S,22S)-3-benzyl-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide;(10R,11R,12E,17E,19E,21S)-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),6,12,17,19,25(28)-hexaene-2,8,14,23-tetrone |
| Molecular Formula | C71H84N10O17 |
| Molecular Weight | 1349.5 |
| Topological Polar Surface Area | 364 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 98 |
| Formal Charge | 0 |
| Complexity | 2640 |
| Property | Value |
|---|---|
| Molecular Weight | 1349.5 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 7 |
| Exact Mass | 1348.60159125 |
| Monoisotopic Mass | 1348.60159125 |
| Topological Polar Surface Area | 364 Ų |
| Heavy Atom Count | 98 |
| Formal Charge | 0 |
| Complexity | 2640 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
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