Gal(1-4)GlcNAc(1-3)GalNAc
TL;DR: Gal(1-4)GlcNAc(1-3)GalNAc (CAS 99340-71-3) is a chemical compound with molecular formula C22H38N2O16 and molecular weight 586.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2R,3R,4R,5S,6R)-2-[(3R,4S,5R)-2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Also Known As: Gal(1-4)glcnac(1-3)galnac, Galactopyranosyl(1-4)acetylglucosaminyl(1-3)acetylgalactosamine, N-[(2R,3R,4R,5S,6R)-2-[(3R,4S,5R)-2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide, D-Galactose, O-beta-D-galactopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-3)-2-(acetylamino)-2-deoxy-, (3aS-(3aalpha,4beta,6aalpha))-, A-d-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-
| Molecular Formula | C22H38N2O16 |
|---|---|
| Molecular Weight | 586.22 g/mol |
| LogP | -7.2 |
| Topological Polar Surface Area | 294.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 13 |
| Exact Mass | 586.2221 |
| Heavy Atoms | 40 |
| Complexity | 837.0 |
Chemical Identifiers
| CAS Number | 99340-71-3 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]([C@H]([C@@H](CO)O)O)C(C=O)NC(=O)C)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O |
| InChIKey | PUQUGBOXXFGOQF-ORIQXTOHSA-N |
Product Overview
Gal(1-4)GlcNAc(1-3)GalNAc (CAS 99340-71-3), with molecular formula C22H38N2O16 and molecular weight 586.22 g/mol. IUPAC: N-[(2R,3R,4R,5S,6R)-2-[(3R,4S,5R)-2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide.
Chemical Property Profile of Gal(1-4)GlcNAc(1-3)GalNAc
Property Insights of Gal(1-4)GlcNAc(1-3)GalNAc
The XLogP value of -7.2 indicates that Gal(1-4)GlcNAc(1-3)GalNAc is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 294.0 Ų indicates high polarity, suggesting Gal(1-4)GlcNAc(1-3)GalNAc may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gal(1-4)GlcNAc(1-3)GalNAc has 11 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gal(1-4)GlcNAc(1-3)GalNAc?
The CAS number of Gal(1-4)GlcNAc(1-3)GalNAc is 99340-71-3.
What is the molecular formula of Gal(1-4)GlcNAc(1-3)GalNAc?
The molecular formula of Gal(1-4)GlcNAc(1-3)GalNAc is C22H38N2O16.
What is the molecular weight of Gal(1-4)GlcNAc(1-3)GalNAc?
The molecular weight of Gal(1-4)GlcNAc(1-3)GalNAc is 586.22 g/mol.
Where can I buy Gal(1-4)GlcNAc(1-3)GalNAc?
You can request a quote for Gal(1-4)GlcNAc(1-3)GalNAc directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gal(1-4)GlcNAc(1-3)GalNAc?
Yes, KEHONG BIO provides custom synthesis services for Gal(1-4)GlcNAc(1-3)GalNAc and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.