TL;DR: GlcNAc-b-1,3-GalNAc-a-PNP (CAS 1456553-26-6) is a chemical compound with molecular formula C22H31N3O13 and molecular weight 545.18567 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also Known As: GlcNAc-b-1,3-GalNAc-a-PNP, GalNAcb(1-3)GlcNAc-b-pNP, GlcNAcb(1-3)GalNAc-a-pNP, GalNAc beta(1-3)GlcNAc-beta-pNP, Galnac?(1-3)GlcNAc-?-PNP
| Molecular Formula | C22H31N3O13 |
| Molecular Weight | 545.18567 g/mol |
| XLogP | -2.0 |
| Topological Polar Surface Area (TPSA) | 242.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 545.18567 Da |
| Heavy Atoms | 38 |
| Complexity | 821.0 |
| SMILES | CC(=O)NC1C(C(C(OC1OC2C(C(OC(C2O)CO)OC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C)CO)O)O |
| InChIKey | HXQAUFSCNOLKJP-UHFFFAOYSA-N |
The XLogP value of -2.0 indicates that GlcNAc-b-1,3-GalNAc-a-PNP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 242.0 Ų indicates high polarity, suggesting GlcNAc-b-1,3-GalNAc-a-PNP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, GlcNAc-b-1,3-GalNAc-a-PNP has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of GlcNAc-b-1,3-GalNAc-a-PNP is 1456553-26-6.
The molecular formula of GlcNAc-b-1,3-GalNAc-a-PNP is C22H31N3O13.
The molecular weight of GlcNAc-b-1,3-GalNAc-a-PNP is 545.18567 g/mol.
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