TL;DR: Antibiotic 6108B (CAS 130812-05-4) is a chemical compound with molecular formula C31H51NO10 and molecular weight 597.3513 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(14E)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetic acid
Also Known As: Antibiotic 6108B, Cirramycin A1, 19-carboxy-19-de(oxomethyl)-, 2-[(14E)-9-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetic acid
| Molecular Formula | C31H51NO10 |
| Molecular Weight | 597.3513 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 597.3513 Da |
| Heavy Atoms | 42 |
| Complexity | 987.0 |
| SMILES | CCC1C(C2C(O2)(/C=C/C(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3C(C(CC(O3)C)N(C)C)O)CC(=O)O)C)C)C |
| InChIKey | LRRXBONPQFMFIU-ZHACJKMWSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Antibiotic 6108B. The TPSA of 155.0 Ų indicates high polarity, suggesting Antibiotic 6108B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Antibiotic 6108B has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Antibiotic 6108B is 130812-05-4.
The molecular formula of Antibiotic 6108B is C31H51NO10.
The molecular weight of Antibiotic 6108B is 597.3513 g/mol.
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