N-acetylglucosamine hexasaccharide 1-4
TL;DR: N-acetylglucosamine hexasaccharide 1-4 (CAS 13319-33-0) is a chemical compound with molecular formula C48H80N6O31 and molecular weight 1236.49 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-[[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also Known As: hexasaccharide, (Glcnac)6 (1-4), N-Acetylglucosamine hexasaccharide 1-4, inulin-type hexasaccharide, beta-D-Glucopyranose, O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-
| Molecular Formula | C48H80N6O31 |
|---|---|
| Molecular Weight | 1236.49 g/mol |
| LogP | -13.2376 |
| Topological Polar Surface Area | 559.35 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 22 |
| Exact Mass | 1236.4868 |
| Heavy Atoms | 85 |
| Complexity | 2234.9424 |
Chemical Identifiers
| CAS Number | 13319-33-0 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)NC(=O)C)NC(=O)C)NC(=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)CO)O)O |
Product Overview
N-acetylglucosamine hexasaccharide 1-4 (CAS 13319-33-0), with molecular formula C48H80N6O31 and molecular weight 1236.49 g/mol. IUPAC: N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4R,5S,6R)-3-acetamido-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-bis[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
Chemical Property Profile of N-acetylglucosamine hexasaccharide 1-4
Property Insights of N-acetylglucosamine hexasaccharide 1-4
The XLogP value of -13.2376 indicates that N-acetylglucosamine hexasaccharide 1-4 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 559.35 Ų indicates high polarity, suggesting N-acetylglucosamine hexasaccharide 1-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-acetylglucosamine hexasaccharide 1-4 has 20 hydrogen bond donor(s) and 31 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-acetylglucosamine hexasaccharide 1-4?
The CAS number of N-acetylglucosamine hexasaccharide 1-4 is 13319-33-0.
What is the molecular formula of N-acetylglucosamine hexasaccharide 1-4?
The molecular formula of N-acetylglucosamine hexasaccharide 1-4 is C48H80N6O31.
What is the molecular weight of N-acetylglucosamine hexasaccharide 1-4?
The molecular weight of N-acetylglucosamine hexasaccharide 1-4 is 1236.49 g/mol.
Where can I buy N-acetylglucosamine hexasaccharide 1-4?
You can request a quote for N-acetylglucosamine hexasaccharide 1-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-acetylglucosamine hexasaccharide 1-4?
Yes, KEHONG BIO provides custom synthesis services for N-acetylglucosamine hexasaccharide 1-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.