TL;DR: Terdecamycin (CAS 113167-61-6) is a chemical compound with molecular formula C31H43N3O8 and molecular weight 585.305 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[13-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-2-(2-oxopropanoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-7-yl] 4-methylpiperazine-1-carboxylate
Also Known As: Terdecamycin, [(1R,3S,4E,6E,9S,10E,12E,14R,15S,18R)-3-hydroxy-6,12,15,18-t
| Molecular Formula | C31H43N3O8 |
| Molecular Weight | 585.305 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 585.305 Da |
| Heavy Atoms | 42 |
| Complexity | 1200.0 |
| SMILES | CC1C2CC(C=CC(=CCC(C=CC(=CC(C(C1=O)(C(=O)O2)C)NC(=O)C(=O)C)C)OC(=O)N3CCN(CC3)C)C)O |
| InChIKey | ZNZIMXXFUIVOSF-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Terdecamycin. The TPSA of 143.0 Ų indicates high polarity, suggesting Terdecamycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Terdecamycin has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Terdecamycin is 113167-61-6.
The molecular formula of Terdecamycin is C31H43N3O8.
The molecular weight of Terdecamycin is 585.305 g/mol.
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