D-Cellobiose octaacetate
TL;DR: D-Cellobiose octaacetate (CAS 5346-90-7) is a chemical compound with molecular formula C28H38O19 and molecular weight 678.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
Also Known As: D-Cellobiose octaacetate, Cellobiose octaacetate, Cyclooctaamylose, alpha-D-Cellobiose octaacetate, Beta-D-maltose octaacetate
| Molecular Formula | C28H38O19 |
|---|---|
| Molecular Weight | 678.20 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 238.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 20 |
| Exact Mass | 678.20074 |
| Heavy Atoms | 47 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 5346-90-7 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | WOTQVEKSRLZRSX-HYSGBLIFSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
D-Cellobiose octaacetate (CAS 5346-90-7), with molecular formula C28H38O19 and molecular weight 678.20 g/mol. IUPAC: [(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate.
Chemical Property Profile of D-Cellobiose octaacetate
Property Insights of D-Cellobiose octaacetate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D-Cellobiose octaacetate. The TPSA of 238.0 Ų indicates high polarity, suggesting D-Cellobiose octaacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-Cellobiose octaacetate has 0 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of D-Cellobiose octaacetate?
The CAS number of D-Cellobiose octaacetate is 5346-90-7.
What is the molecular formula of D-Cellobiose octaacetate?
The molecular formula of D-Cellobiose octaacetate is C28H38O19.
What is the molecular weight of D-Cellobiose octaacetate?
The molecular weight of D-Cellobiose octaacetate is 678.20 g/mol.
Where can I buy D-Cellobiose octaacetate?
You can request a quote for D-Cellobiose octaacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-Cellobiose octaacetate?
Yes, KEHONG BIO provides custom synthesis services for D-Cellobiose octaacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.