TL;DR: alpha-Neu5Ac-2-3-gal-1-3-glcnac (CAS 142434-22-8) is a chemical compound with molecular formula C25H42N2O19 and molecular weight 674.23816 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Also Known As: Nggnac, Adgggg, Neu5Acalpha2-3Galbeta1-3GlcNAcbeta, GlyTouCan:G46776WR, Epitope ID:241110
| Molecular Formula | C25H42N2O19 |
| Molecular Weight | 674.23816 g/mol |
| XLogP | -6.7 |
| Topological Polar Surface Area (TPSA) | 344.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 12 |
| Exact Mass | 674.23816 Da |
| Heavy Atoms | 46 |
| Complexity | 1050.0 |
| SMILES | CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)O)NC(=O)C)CO)O)O |
| InChIKey | KMRCGPSUZRGVOV-CTFHGZAXSA-N |
The XLogP value of -6.7 indicates that alpha-Neu5Ac-2-3-gal-1-3-glcnac is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 344.0 Ų indicates high polarity, suggesting alpha-Neu5Ac-2-3-gal-1-3-glcnac may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha-Neu5Ac-2-3-gal-1-3-glcnac has 13 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of alpha-Neu5Ac-2-3-gal-1-3-glcnac is 142434-22-8.
The molecular formula of alpha-Neu5Ac-2-3-gal-1-3-glcnac is C25H42N2O19.
The molecular weight of alpha-Neu5Ac-2-3-gal-1-3-glcnac is 674.23816 g/mol.
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