TL;DR: 26-Deoxymonensin B (CAS 155539-11-0) is a chemical compound with molecular formula C35H60O10 and molecular weight 640.41864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[7-hydroxy-2-[5-[5-(6-hydroxy-3,5,6-trimethyloxan-2-yl)-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid
Also Known As: 26-Deoxymonensin B, 4-[7-hydroxy-2-[5-[5-(6-hydroxy-3,5,6-trimethyloxan-2-yl)-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid, 4-[7-hydroxy-3-[5-[5-(6-hydroxy-3,5,6-trimethyloxan-2-yl)-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid, 4-(7-hydroxy-2-(5-(5-(6-hydroxy-3,5,6-trimethyloxan-2-yl)-3-methyloxolan-2-yl)-5-methyloxolan-2-yl)-2,8-dimethyl-1,10-dioxaspiro(4.5)decan-9-yl)-3-methoxy-2-methylpentanoic acid, 4-{9-Hydroxy-2-[5'-(6-hydroxy-3,5,6-trimethyloxan-2-yl)-2,3'-dimethyl[2,2'-bioxolan]-5-yl]-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl}-3-methoxy-2-methylpentanoic acid
| Molecular Formula | C35H60O10 |
| Molecular Weight | 640.41864 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 640.41864 Da |
| Heavy Atoms | 45 |
| Complexity | 1070.0 |
| SMILES | CC1CC(C(OC1C2CC(C(O2)C3(CCC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)C(C(C)C(=O)O)OC)C)O)C)C)C)(C)O)C |
| InChIKey | OGZYZDKLKKGFPQ-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that 26-Deoxymonensin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 26-Deoxymonensin B. Following Lipinski's Rule of Five, 26-Deoxymonensin B has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 26-Deoxymonensin B is 155539-11-0.
The molecular formula of 26-Deoxymonensin B is C35H60O10.
The molecular weight of 26-Deoxymonensin B is 640.41864 g/mol.
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