Antibiotic X-14889C
2-[(2S,3R,5S,6S)-6-[(3S,4S,6R)-6-[(3S,5S)-5-[(2R,3R,5S)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxyethyl]-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]ethaneperoxoic acid
Also Known As: Antibiotic X-14889C|X 14889C|X-14889C|20-De(1-hydroxypropyl)-20-(1-hydroxyethyl)lysocellin|Lysocellin, 20-de(1-hydroxypropyl)-20-(1-hydroxyethyl)-|2-[(2S,3R,5S,6S)-6-[(3S,4S,6R)-6-[(3S,5S)-5-[(2R,3R,5S)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxyethyl]-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]ethaneperoxoic acid|(6-{6-[5'-Ethyl-2'-hydroxy-5'-(1-hydroxyethyl)-2,3',4-trimethyl[2,2'-bioxolan]-5-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl}-3,5-dimethyloxan-2-yl)ethaneperoxoic acid|{(2S,3R,5S,6S)-6-[(3S,4S,6R)-6-{(2S,2'R,3'R,4S,5'S)-5'-Ethyl-2'-hydroxy-5'-[(1S)-1-hydroxyethyl]-2,3',4-trimethyl[2,2'-bioxolan]-5-yl}-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl}ethaneperoxoic acid
| Molecular Formula | C33H58O10 |
|---|---|
| Molecular Weight | 614.403 g/mol |
| LogP | 4.5091 |
| Topological Polar Surface Area | 151.98 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 614.403 |
| Monoisotopic Mass | 614.403 |
| Heavy Atoms | 43 |
| Complexity | 973.3301 |
Chemical Identifiers
| CAS Number | 97671-95-9 |
|---|---|
| SMILES | CC[C@H](C1[C@H](C[C@@](O1)(C)[C@]2([C@@H](C[C@@](O2)(CC)[C@H](C)O)C)O)C)C(=O)[C@@H](C)[C@H](C(C)[C@@H]3[C@H](C[C@H]([C@@H](O3)CC(=O)OO)C)C)O |
Product Overview
Antibiotic X-14889C (CAS 97671-95-9), with molecular formula C33H58O10 and molecular weight 614.403 g/mol. IUPAC: 2-[(2S,3R,5S,6S)-6-[(3S,4S,6R)-6-[(3S,5S)-5-[(2R,3R,5S)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxyethyl]-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]ethaneperoxoic acid.