N,N',N''-Triacetylchitotriose
TL;DR: N,N',N''-Triacetylchitotriose (CAS 40748-21-8) is a chemical compound with molecular formula C24H41N3O16 and molecular weight 627.25 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)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also Known As: N,N',N''-triacetylchitotriose, tri-n-acetylchitotriose, chitotriose, N-Acetylchitotriose, triGlcNAc
| Molecular Formula | C24H41N3O16 |
|---|---|
| Molecular Weight | 627.25 g/mol |
| LogP | -7.2 |
| Topological Polar Surface Area | 303.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Exact Mass | 627.24866 |
| Heavy Atoms | 43 |
| Complexity | 944.0 |
| Melting Point | 304 - 306 °C |
Chemical Identifiers
| CAS Number | 40748-21-8 |
|---|---|
| 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]([C@@H](CO)O)[C@@H]([C@H](C=O)NC(=O)C)O)CO)CO)O)O |
| InChIKey | LRDDKCYRFNJZBX-WHFMPQCRSA-N |
Product Overview
N,N',N''-Triacetylchitotriose (CAS 40748-21-8), with molecular formula C24H41N3O16 and molecular weight 627.25 g/mol. IUPAC: N-[(2S,3R,4R,5S,6R)-2-[(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-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
Chemical Property Profile of N,N',N''-Triacetylchitotriose
Property Insights of N,N',N''-Triacetylchitotriose
The XLogP value of -7.2 indicates that N,N',N''-Triacetylchitotriose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 303.0 Ų indicates high polarity, suggesting N,N',N''-Triacetylchitotriose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N',N''-Triacetylchitotriose 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 N,N',N''-Triacetylchitotriose?
The CAS number of N,N',N''-Triacetylchitotriose is 40748-21-8.
What is the molecular formula of N,N',N''-Triacetylchitotriose?
The molecular formula of N,N',N''-Triacetylchitotriose is C24H41N3O16.
What is the molecular weight of N,N',N''-Triacetylchitotriose?
The molecular weight of N,N',N''-Triacetylchitotriose is 627.25 g/mol.
Where can I buy N,N',N''-Triacetylchitotriose?
You can request a quote for N,N',N''-Triacetylchitotriose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N',N''-Triacetylchitotriose?
Yes, KEHONG BIO provides custom synthesis services for N,N',N''-Triacetylchitotriose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.