TL;DR: Midecamycin (CAS 149370-53-6) is a chemical compound with molecular formula C41H67NO15 and molecular weight 813.45105 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-[(2S,4R,5S,6S)-4-hydroxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate
Also Known As: midecamycin, Rubimycin, Mydecamycin, Espinomycin A, Platenomycin B1
| Molecular Formula | C41H67NO15 |
| Molecular Weight | 813.45105 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 206.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Exact Mass | 813.45105 Da |
| Heavy Atoms | 57 |
| Complexity | 1360.0 |
| SMILES | CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)O)C |
| InChIKey | DMUAPQTXSSNEDD-QALJCMCCSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Midecamycin. The TPSA of 206.0 Ų indicates high polarity, suggesting Midecamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Midecamycin has 3 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Midecamycin is 149370-53-6.
The molecular formula of Midecamycin is C41H67NO15.
The molecular weight of Midecamycin is 813.45105 g/mol.
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