Chitobiose octaacetate
TL;DR: Chitobiose octaacetate (CAS 7284-18-6) is a chemical compound with molecular formula C28H40N2O17 and molecular weight 676.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R,6R)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4,6-diacetyloxyoxan-2-yl]methyl acetate
Also Known As: Chitobiose octaacetate, Peracetylchitobiose, KST-1B8365, D-, A-CHITOBIOSE OCTAACETATE
| Molecular Formula | C28H40N2O17 |
|---|---|
| Molecular Weight | 676.23 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 244.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 18 |
| Exact Mass | 676.2327 |
| Heavy Atoms | 47 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 7284-18-6 |
|---|---|
| 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]2OC(=O)C)NC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | JUYKRZRMNHWQCD-SKSLZCFZSA-N |
Product Overview
Chitobiose octaacetate (CAS 7284-18-6), with molecular formula C28H40N2O17 and molecular weight 676.23 g/mol. IUPAC: [(2R,3S,4R,5R,6R)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-4,6-diacetyloxyoxan-2-yl]methyl acetate.
Chemical Property Profile of Chitobiose octaacetate
Property Insights of Chitobiose octaacetate
The XLogP value of -1.8 indicates that Chitobiose octaacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 244.0 Ų indicates high polarity, suggesting Chitobiose octaacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chitobiose octaacetate has 2 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chitobiose octaacetate?
The CAS number of Chitobiose octaacetate is 7284-18-6.
What is the molecular formula of Chitobiose octaacetate?
The molecular formula of Chitobiose octaacetate is C28H40N2O17.
What is the molecular weight of Chitobiose octaacetate?
The molecular weight of Chitobiose octaacetate is 676.23 g/mol.
Where can I buy Chitobiose octaacetate?
You can request a quote for Chitobiose octaacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chitobiose octaacetate?
Yes, KEHONG BIO provides custom synthesis services for Chitobiose octaacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.