TL;DR: midecamycin acetate (CAS 55881-07-7) is a chemical compound with molecular formula C45H71NO17 and molecular weight 897.4722 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4R,5S,6S,7R,9R,10R,16R)-10-acetyloxy-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4-acetyloxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate
Also Known As: midecamycin acetate, 5,6-BIS[(4-FLUOROPHENYL)AMINO]-1H-ISOINDOLE-1,3(2H)-DIONE
| Molecular Formula | C45H71NO17 |
| Molecular Weight | 897.4722 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 218.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 18 |
| Exact Mass | 897.4722 Da |
| Heavy Atoms | 63 |
| Complexity | 1590.0 |
| SMILES | CCC(=O)O[C@@H]1CC(=O)O[C@@H](CC=CC=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)OC(=O)C)N(C)C)O)CC=O)C)OC(=O)C)C |
| InChIKey | GQNZGCARKRHPOH-UEZYHSOPSA-N |
The XLogP value of 3.8 indicates that midecamycin acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 218.0 Ų indicates high polarity, suggesting midecamycin acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, midecamycin acetate has 1 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of midecamycin acetate is 55881-07-7.
The molecular formula of midecamycin acetate is C45H71NO17.
The molecular weight of midecamycin acetate is 897.4722 g/mol.
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