Spectinomycin

Chemical Information
Spectinomycin is a pyranobenzodioxin and antibiotic that is active against gram-negative bacteria and used (as its dihydrochloride pentahydrate) to treat gonorrhea. It is produced by the bacterium Streptomyces spectabilis. It has a role as an antimicrobial agent, an antibacterial drug and a bacterial metabolite. It is a pyranobenzodioxin, a secondary alcohol, a cyclic ketone, a secondary amino compound, a cyclic acetal and a cyclic hemiketal. It is a conjugate base of a spectinomycin(1+) and a spectinomycin(2+).
| CAS Number | 1695-77-8 |
| PubChem CID | 15541 |
| IUPAC Name | (1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one |
| Molecular Formula | C14H24N2O7 |
| Molecular Weight | 332.35 |
| XLogP | -3.1 |
| Topological Polar Surface Area | 130 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 478 |
| Property | Value |
|---|---|
| Molecular Weight | 332.35 |
| XLogP3 | -3.1 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Exact Mass | 332.15835111 |
| Monoisotopic Mass | 332.15835111 |
| Topological Polar Surface Area | 130 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 478 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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