TL;DR: Inostamycin (CAS 129905-10-8) is a chemical compound with molecular formula C38H68O11 and molecular weight 700.47614 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(2R,3S,4R,5R,6R)-5-ethyl-6-[(2R,3R,4S,6R)-6-[(2R,3R,5S)-5-[(2R,3R,5S)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxybutyl]-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-2,4-dihydroxy-3-methyloxan-2-yl]butanoic acid
Also Known As: Inostamycin, (2S)-2-[(2R,3S,4R,5R,6R)-5-ethyl-6-[(2R,3R,4S,6R)-6-[(2R,3R,5S)-5-[(2R,3R,5S)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxybutyl]-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-2,4-dihydroxy-3-methyloxan-2-yl]butanoic acid, (2S,4S,5R)-20-De(1-hydroxypropyl)-6-demethyl-2,6-diethyl-5-hydroxy-20-(1-hydroxybutyl)lysocellin, Lysocellin, 20-de(1-hydroxypropyl)-6-demethyl-2,6-diethyl-5-hydroxy-20-(1-hydroxybutyl)-, (2S,4S,5R)-, (2S)-2-[(2R,3S,4R,5R,6R)-5-ethyl-6-[(1R,2R,3S,5R)-5-[(2R,3R,5S)-5-[(2R,3R,5S)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxybutyl]-3-methyl-tetrahydrofuran-2-yl]-3,5-dimethyl-tetrahydrofuran-2-yl]-2-hydroxy-1,3-dimethyl-4-oxo-heptyl]-2,4-dihydroxy-3-methyl-tetrahydropyran-2-yl]butanoic acid
| Molecular Formula | C38H68O11 |
| Molecular Weight | 700.47614 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 183.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 16 |
| Exact Mass | 700.47614 Da |
| Heavy Atoms | 49 |
| Complexity | 1130.0 |
| SMILES | CCC[C@@H]([C@@]1(C[C@H]([C@@](O1)([C@@]2(C[C@H]([C@@H](O2)[C@@H](CC)C(=O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]3[C@@H]([C@H]([C@@H]([C@@](O3)([C@H](CC)C(=O)O)O)C)O)CC)O)C)C)O)C)CC)O |
| InChIKey | NZJHONRWXITMMC-SHVTYPMQSA-N |
The XLogP value of 5.4 indicates that Inostamycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 183.0 Ų indicates high polarity, suggesting Inostamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Inostamycin has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Inostamycin is 129905-10-8.
The molecular formula of Inostamycin is C38H68O11.
The molecular weight of Inostamycin is 700.47614 g/mol.
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