TL;DR: Gal beta(1-3)GlcNAc-beta-pNP (CAS 1144040-14-1) is a chemical compound with molecular formula C20H28N2O13 and molecular weight 504.15915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[5-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Also Known As: T Antigen, p-Nitrophenyl-, Galbeta1,3GalNAcalpha-PNP, Gal1-b-3GlcNAc-b-PNP, p-Nitrophenyl lacto-N-bioside, Galb(1-3)GalNAc-a-pNP
| Molecular Formula | C20H28N2O13 |
| Molecular Weight | 504.15915 g/mol |
| XLogP | -2.0 |
| Topological Polar Surface Area (TPSA) | 233.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 504.15915 Da |
| Heavy Atoms | 35 |
| Complexity | 716.0 |
| SMILES | CC(=O)NC1C(C(C(OC1OC2=CC=C(C=C2)[N+](=O)[O-])CO)O)OC3C(C(C(C(O3)CO)O)O)O |
| InChIKey | INMOOBMAIAWVBW-UHFFFAOYSA-N |
The XLogP value of -2.0 indicates that Gal beta(1-3)GlcNAc-beta-pNP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 233.0 Ų indicates high polarity, suggesting Gal beta(1-3)GlcNAc-beta-pNP may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gal beta(1-3)GlcNAc-beta-pNP has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Gal beta(1-3)GlcNAc-beta-pNP is 1144040-14-1.
The molecular formula of Gal beta(1-3)GlcNAc-beta-pNP is C20H28N2O13.
The molecular weight of Gal beta(1-3)GlcNAc-beta-pNP is 504.15915 g/mol.
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