2,3,6,2',3',4',6'-hepta-O-acetylcellobiose
TL;DR: 2,3,6,2',3',4',6'-hepta-O-acetylcellobiose (CAS 106257-79-8) is a chemical compound with molecular formula C26H36O18 and molecular weight 636.1902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R)-1,4,5-triacetyloxy-2-hydroxy-6-oxohexan-3-yl]oxyoxan-2-yl]methyl acetate
Also Known As: 7Ac-Cellobiose, 2,3,6,2',3',4',6'-Hepta-O-acetylcellobiose, O-(4-phenoxybutan-2-yl) N-phenylcarbamothioate, 2,3,6,2/',3/',4/',6/'-Hepta-O-acetylcellobiose, N',N'-bis[dibutyl(methoxy)stannyl]-N,N-dimethylpropane-1,3-diamine
Technical Specifications
| Molecular Formula | C26H36O18 |
| Molecular Weight | 636.1902 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 240.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 22 |
| Exact Mass | 636.1902 Da |
| Heavy Atoms | 44 |
| Complexity | 1070.0 |
| SMILES | CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](COC(=O)C)O)[C@@H]([C@H](C=O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | HEWAKNGCSYCQMD-LGJUFSBISA-N |
Chemical Property Profile of 2,3,6,2',3',4',6'-hepta-O-acetylcellobiose
Property Insights of 2,3,6,2',3',4',6'-hepta-O-acetylcellobiose
The XLogP value of -1.6 indicates that 2,3,6,2',3',4',6'-hepta-O-acetylcellobiose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 240.0 Ų indicates high polarity, suggesting 2,3,6,2',3',4',6'-hepta-O-acetylcellobiose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3,6,2',3',4',6'-hepta-O-acetylcellobiose has 1 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2,3,6,2',3',4',6'-hepta-O-acetylcellobiose?
The CAS number of 2,3,6,2',3',4',6'-hepta-O-acetylcellobiose is 106257-79-8.
What is the molecular formula of 2,3,6,2',3',4',6'-hepta-O-acetylcellobiose?
The molecular formula of 2,3,6,2',3',4',6'-hepta-O-acetylcellobiose is C26H36O18.
What is the molecular weight of 2,3,6,2',3',4',6'-hepta-O-acetylcellobiose?
The molecular weight of 2,3,6,2',3',4',6'-hepta-O-acetylcellobiose is 636.1902 g/mol.
Where can I buy 2,3,6,2',3',4',6'-hepta-O-acetylcellobiose?
You can request a quote for 2,3,6,2',3',4',6'-hepta-O-acetylcellobiose directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3,6,2',3',4',6'-hepta-O-acetylcellobiose?
Yes, CoreyChem provides custom synthesis services for 2,3,6,2',3',4',6'-hepta-O-acetylcellobiose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.