TL;DR: 1-O-alpha-2-acetamido-2-deoxygalactopyranosyl-inositol (CAS 91811-18-6) is a chemical compound with molecular formula C14H25NO11 and molecular weight 383.14276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxycyclohexyl)oxyoxan-3-yl]acetamide
Also Known As: 1-Adgmi, 1-O-alpha-2-Acetamido-2-deoxygalactopyranosyl-inositol, 1-O-alpha-2-Acetamido-2-deoxygalactopyranosyl-myo-inositol, 2,3,4,5,6-pentahydroxycyclohexyl 2-(acetylamino)-2-deoxyhexopyranoside, N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(2,3,4,5,6-pentahydroxycyclohexyl)oxyoxan-3-yl]acetamide
| Molecular Formula | C14H25NO11 |
| Molecular Weight | 383.14276 g/mol |
| XLogP | -5.3 |
| Topological Polar Surface Area (TPSA) | 209.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.14276 Da |
| Heavy Atoms | 26 |
| Complexity | 478.0 |
| SMILES | CC(=O)NC1C(C(C(OC1OC2C(C(C(C(C2O)O)O)O)O)CO)O)O |
| InChIKey | MRKTUVZZZRUSQR-UHFFFAOYSA-N |
The XLogP value of -5.3 indicates that 1-O-alpha-2-acetamido-2-deoxygalactopyranosyl-inositol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 209.0 Ų indicates high polarity, suggesting 1-O-alpha-2-acetamido-2-deoxygalactopyranosyl-inositol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-O-alpha-2-acetamido-2-deoxygalactopyranosyl-inositol has 9 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-O-alpha-2-acetamido-2-deoxygalactopyranosyl-inositol is 91811-18-6.
The molecular formula of 1-O-alpha-2-acetamido-2-deoxygalactopyranosyl-inositol is C14H25NO11.
The molecular weight of 1-O-alpha-2-acetamido-2-deoxygalactopyranosyl-inositol is 383.14276 g/mol.
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