TL;DR: Mupirocin calcium (CAS 115074-43-6) is a chemical compound with molecular formula C52H86CaO18 and molecular weight 1038.5441 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
calcium bis(9-[4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoate)
Also Known As: Mupirocin calcium
| Molecular Formula | C52H86CaO18 |
| Molecular Weight | 1038.5441 g/mol |
| XLogP | 2.13 |
| Topological Polar Surface Area (TPSA) | 298.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 32 |
| Exact Mass | 1038.5441 Da |
| Heavy Atoms | 71 |
| Complexity | 689.0 |
| SMILES | C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)CC(=CC(=O)OCCCCCCCCC(=O)[O-])C)[C@H](C)O.C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)CC(=CC(=O)OCCCCCCCCC(=O)[O-])C)[C@H](C)O.[Ca+2] |
| InChIKey | HAXVBVDETFUQGV-ALKLKMEASA-L |
The XLogP value of 2.13 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mupirocin calcium. The TPSA of 298.0 Ų indicates high polarity, suggesting Mupirocin calcium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mupirocin calcium has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Mupirocin calcium is 115074-43-6.
The molecular formula of Mupirocin calcium is C52H86CaO18.
The molecular weight of Mupirocin calcium is 1038.5441 g/mol.
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