TL;DR: opyranose (CAS 13538-21-1) is a chemical compound with molecular formula C38H62N4O25 and molecular weight 974.3703 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-acetamido-5-[3-acetamido-5-[3-acetamido-5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(1-carboxyethoxy)-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid
Also Known As: opyranose, (NAG)(NAM)-None;(G-G)-(NAG)(NAM)-None, O-2-(AcetylaMino)-2-deoxy-beta-D-glucopyranosyl-(1-->4)-O-(N-acetyl- beta-MuraMosyl)-(1-->4)-O-2-(acetylaMino)-2-deoxy-beta-D-glucopyranosyl-(1-->4)-N-acetylMuraMic Acid, )-4-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)propanoic acid, 2-((3-acetamido-5-((3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-((5-acetamido-6-((5-acetamido-4-(1-carboxyethoxy)-6-hydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy
| Molecular Formula | C38H62N4O25 |
| Molecular Weight | 974.3703 g/mol |
| XLogP | -8.0 |
| Topological Polar Surface Area (TPSA) | 436.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 20 |
| Exact Mass | 974.3703 Da |
| Heavy Atoms | 67 |
| Complexity | 1700.0 |
| SMILES | CC(C(=O)O)OC1C(C(OC(C1OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)NC(=O)C)OC(C)C(=O)O)NC(=O)C)O)NC(=O)C)CO)O)NC(=O)C |
| InChIKey | FIUGNIONPNSJNO-UHFFFAOYSA-N |
The XLogP value of -8.0 indicates that opyranose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 436.0 Ų indicates high polarity, suggesting opyranose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, opyranose has 14 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of opyranose is 13538-21-1.
The molecular formula of opyranose is C38H62N4O25.
The molecular weight of opyranose is 974.3703 g/mol.
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