TL;DR: Hedamycin (CAS 11048-97-8) is a chemical compound with molecular formula C41H50N2O11 and molecular weight 746.34143 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione
Also Known As: Hedamycin, Lactenocin, Antibiotic B26158, Antibiotic B26,158, Crystalline antibiotic B 26,158
| Molecular Formula | C41H50N2O11 |
| Molecular Weight | 746.34143 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 171.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 746.34143 Da |
| Heavy Atoms | 54 |
| Complexity | 1570.0 |
| SMILES | CC1C(C(CC(O1)C2=CC(=C(C3=C2C(=O)C4=C(C3=O)C5=C(C(=C4)C)C(=O)C=C(O5)C6(C(O6)C7C(O7)C)C)O)C8CC(C(C(O8)C)O)(C)N(C)C)N(C)C)O |
| InChIKey | RZOFHOWMWMTHDX-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hedamycin. The TPSA of 171.0 Ų indicates high polarity, suggesting Hedamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hedamycin has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Hedamycin is 11048-97-8.
The molecular formula of Hedamycin is C41H50N2O11.
The molecular weight of Hedamycin is 746.34143 g/mol.
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