TL;DR: O-specific antigen, Yersinia ruckerii (CAS 132194-17-3) is a chemical compound with molecular formula C29H47N3O18 and molecular weight 725.28546 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-acetamido-2-[3-acetamido-2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-6-(acetyloxymethyl)-5-hydroxyoxan-4-yl]oxypropanoic acid
Also Known As: O-Specific antigen, YR, O-Specific antigen, yersinia ruckerii, 2-[3-acetamido-2-[3-acetamido-2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-methyloxan-4-yl]oxy-6-(acetyloxymethyl)-5-hydroxyoxan-4-yl]oxypropanoic acid, 6-o-acetyl-2-(acetylamino)-3-o-(1-carboxyethyl)-2-deoxyhexopyranosyl-(1-, 6-o-acetyl-2-(acetylamino)-3-o-(1-carboxyethyl)-2-deoxyhexopyranosyl-(1->3)-2-(acetylamino)-2,6-dideoxyhexopyranosyl-(1->3)-2-(acetylamino)-2-deoxyhexopyranose
| Molecular Formula | C29H47N3O18 |
| Molecular Weight | 725.28546 g/mol |
| XLogP | -4.7 |
| Topological Polar Surface Area (TPSA) | 307.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 14 |
| Exact Mass | 725.28546 Da |
| Heavy Atoms | 50 |
| Complexity | 1210.0 |
| SMILES | CC1C(C(C(C(O1)OC2C(C(OC(C2O)CO)O)NC(=O)C)NC(=O)C)OC3C(C(C(C(O3)COC(=O)C)O)OC(C)C(=O)O)NC(=O)C)O |
| InChIKey | PXNAZVMNQPLLQE-UHFFFAOYSA-N |
The XLogP value of -4.7 indicates that O-specific antigen, Yersinia ruckerii is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 307.0 Ų indicates high polarity, suggesting O-specific antigen, Yersinia ruckerii may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O-specific antigen, Yersinia ruckerii has 9 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of O-specific antigen, Yersinia ruckerii is 132194-17-3.
The molecular formula of O-specific antigen, Yersinia ruckerii is C29H47N3O18.
The molecular weight of O-specific antigen, Yersinia ruckerii is 725.28546 g/mol.
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