Cellobiose octaacetate
TL;DR: Cellobiose octaacetate (CAS 53270-74-9) 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,6R)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R)-2,3,4,5-tetraacetyloxy-6-oxohexoxy]oxan-2-yl]methyl acetate
Also Known As: Cellobiose octaacetate, 2-(4-chlorophenyl)benzo[de]isoquinoline-1,3-dione, 6-O-(2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl)-D-glucose 2,3,4,5-tetraacetate, [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R)-2,3,4,5-tetraacetyloxy-6-oxohexoxy]oxan-2-yl]methyl acetate, d-glucose, 6-o-(2,3,4,6-tetra-o-acetyl-
| Molecular Formula | C28H38O19 |
|---|---|
| Molecular Weight | 678.20 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 246.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 24 |
| Exact Mass | 678.20074 |
| Heavy Atoms | 47 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 53270-74-9 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C=O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | NGOPFJZOLWDVPH-KHVMGGNZSA-N |
Product Overview
Cellobiose octaacetate (CAS 53270-74-9), with molecular formula C28H38O19 and molecular weight 678.20 g/mol. IUPAC: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R)-2,3,4,5-tetraacetyloxy-6-oxohexoxy]oxan-2-yl]methyl acetate.
Chemical Property Profile of Cellobiose octaacetate
Property Insights of Cellobiose octaacetate
The XLogP value of -1.0 indicates that Cellobiose octaacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 246.0 Ų indicates high polarity, suggesting Cellobiose octaacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 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 Cellobiose octaacetate?
The CAS number of Cellobiose octaacetate is 53270-74-9.
What is the molecular formula of Cellobiose octaacetate?
The molecular formula of Cellobiose octaacetate is C28H38O19.
What is the molecular weight of Cellobiose octaacetate?
The molecular weight of Cellobiose octaacetate is 678.20 g/mol.
Where can I buy Cellobiose octaacetate?
You can request a quote for Cellobiose octaacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cellobiose octaacetate?
Yes, KEHONG BIO provides custom synthesis services for Cellobiose octaacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.