N-Acetylchitohexaose
TL;DR: N-Acetylchitohexaose (CAS 38854-46-5) 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-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also Known As: Hexa-N-acetylchitohexaose, N-Acetylchitohexaose, HNACH, (GlcNAc)6, N-Acetylglucosamine hexamer
| Molecular Formula | C48H80N6O31 |
|---|---|
| Molecular Weight | 1236.49 g/mol |
| LogP | -13.6 |
| Topological Polar Surface Area | 567.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 26 |
| Exact Mass | 1236.4868 |
| Heavy Atoms | 85 |
| Complexity | 2220.0 |
Chemical Identifiers
| CAS Number | 38854-46-5 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)NC(=O)C)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)NC(=O)C)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)NC(=O)C)O)CO)CO)CO)CO)CO)O)O |
| InChIKey | FUHDMRPNDKDRFE-LPUYKFNUSA-N |
Product Overview
N-Acetylchitohexaose (CAS 38854-46-5), with molecular formula C48H80N6O31 and molecular weight 1236.49 g/mol. IUPAC: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
Chemical Property Profile of N-Acetylchitohexaose
Property Insights of N-Acetylchitohexaose
The XLogP value of -13.6 indicates that N-Acetylchitohexaose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 567.0 Ų indicates high polarity, suggesting N-Acetylchitohexaose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Acetylchitohexaose 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-Acetylchitohexaose?
The CAS number of N-Acetylchitohexaose is 38854-46-5.
What is the molecular formula of N-Acetylchitohexaose?
The molecular formula of N-Acetylchitohexaose is C48H80N6O31.
What is the molecular weight of N-Acetylchitohexaose?
The molecular weight of N-Acetylchitohexaose is 1236.49 g/mol.
Where can I buy N-Acetylchitohexaose?
You can request a quote for N-Acetylchitohexaose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetylchitohexaose?
Yes, KEHONG BIO provides custom synthesis services for N-Acetylchitohexaose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.