Hexa-O-acetyl-cellobial
TL;DR: Hexa-O-acetyl-cellobial (CAS 67314-36-7) is a chemical compound with molecular formula C24H32O15 and molecular weight 560.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R)-4-acetyloxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
Also Known As: Hexa-O-acetyl-cellobial, D-Cellobial hexaacetate, J1.408.875J, 2,3,6,2',3',4',6'-Hexa-O-acetyl-D-cellobial, 3,6,2a(2),3a(2),4a(2),6a(2)-Hexa-O-acetyl-D-cellobial
| Molecular Formula | C24H32O15 |
|---|---|
| Molecular Weight | 560.17 g/mol |
| LogP | -0.138 |
| Topological Polar Surface Area | 185.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 560.17413 |
| Heavy Atoms | 39 |
| Complexity | 959.1732 |
Chemical Identifiers
| CAS Number | 67314-36-7 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H](C=CO1)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 |
Product Overview
Hexa-O-acetyl-cellobial (CAS 67314-36-7), with molecular formula C24H32O15 and molecular weight 560.17 g/mol. IUPAC: [(2R,3S,4R)-4-acetyloxy-3-[(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate.
Chemical Property Profile of Hexa-O-acetyl-cellobial
Property Insights of Hexa-O-acetyl-cellobial
The XLogP value of -0.138 indicates that Hexa-O-acetyl-cellobial is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.49 Ų indicates high polarity, suggesting Hexa-O-acetyl-cellobial may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexa-O-acetyl-cellobial has 0 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexa-O-acetyl-cellobial?
The CAS number of Hexa-O-acetyl-cellobial is 67314-36-7.
What is the molecular formula of Hexa-O-acetyl-cellobial?
The molecular formula of Hexa-O-acetyl-cellobial is C24H32O15.
What is the molecular weight of Hexa-O-acetyl-cellobial?
The molecular weight of Hexa-O-acetyl-cellobial is 560.17 g/mol.
Where can I buy Hexa-O-acetyl-cellobial?
You can request a quote for Hexa-O-acetyl-cellobial directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexa-O-acetyl-cellobial?
Yes, KEHONG BIO provides custom synthesis services for Hexa-O-acetyl-cellobial and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.