TL;DR: Avermectin A1a, 22,23-dihydro-5-O-demethyl-26-((2-methoxyethoxy)methoxy)- (CAS 156153-56-9) is a chemical compound with molecular formula C52H82O17 and molecular weight 978.5552 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-22-(2-methoxyethoxymethoxymethyl)-5',11,13-trimethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Also Known As: 22,23-Dihydro-5-O-demethyl-26-((2-methoxyethoxy)methoxy)avermectin A1a, Avermectin A1a, 22,23-dihydro-5-O-demethyl-26-((2-methoxyethoxy)methoxy)-
| Molecular Formula | C52H82O17 |
| Molecular Weight | 978.5552 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 198.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 15 |
| Exact Mass | 978.5552 Da |
| Heavy Atoms | 69 |
| Complexity | 1800.0 |
| SMILES | CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)COCOCCOC)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C |
| InChIKey | LRCJTKFGIGIPAE-WVCPODIMSA-N |
The XLogP value of 3.2 indicates that Avermectin A1a, 22,23-dihydro-5-O-demethyl-26-((2-methoxyethoxy)methoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 198.0 Ų indicates high polarity, suggesting Avermectin A1a, 22,23-dihydro-5-O-demethyl-26-((2-methoxyethoxy)methoxy)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Avermectin A1a, 22,23-dihydro-5-O-demethyl-26-((2-methoxyethoxy)methoxy)- has 3 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Avermectin A1a, 22,23-dihydro-5-O-demethyl-26-((2-methoxyethoxy)methoxy)- is 156153-56-9.
The molecular formula of Avermectin A1a, 22,23-dihydro-5-O-demethyl-26-((2-methoxyethoxy)methoxy)- is C52H82O17.
The molecular weight of Avermectin A1a, 22,23-dihydro-5-O-demethyl-26-((2-methoxyethoxy)methoxy)- is 978.5552 g/mol.
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