TL;DR: 2-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybenzoic Acid (CAS 1094829-32-9) is a chemical compound with molecular formula C21H25NO11 and molecular weight 467.14276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybenzoic acid
Also Known As: 2-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybenzoic Acid, 2-((3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzoic acid, F1707-0002, 2-{[4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxan-2-yl]oxy}benzoic acid, 2-(4,5-Diacetoxy-6-acetoxymethyl-3-acetylamino-tetrahydro-pyran-2-yloxy)-benzoic acid
| Molecular Formula | C21H25NO11 |
| Molecular Weight | 467.14276 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 164.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 467.14276 Da |
| Heavy Atoms | 33 |
| Complexity | 754.0 |
| SMILES | CC(=O)NC1C(C(C(OC1OC2=CC=CC=C2C(=O)O)COC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | YWHNVIHLNZLULL-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybenzoic Acid. The TPSA of 164.0 Ų indicates high polarity, suggesting 2-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybenzoic Acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybenzoic Acid has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybenzoic Acid is 1094829-32-9.
The molecular formula of 2-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybenzoic Acid is C21H25NO11.
The molecular weight of 2-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybenzoic Acid is 467.14276 g/mol.
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