Tri-O-acetyl-D-glucal
TL;DR: Tri-O-acetyl-D-glucal (CAS 63640-41-5) is a chemical compound with molecular formula C12H16O7 and molecular weight 272.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
Also Known As: Tri-O-acetyl-D-glucal, 3,4,6-tri-O-Acetyl-D-glucal, D-Glucal triacetate, Triacetyl-D-glucal, tri-O-acetyl-glucal
| Molecular Formula | C12H16O7 |
|---|---|
| Molecular Weight | 272.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.0896 |
| Heavy Atoms | 19 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 63640-41-5 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H](C=CO1)OC(=O)C)OC(=O)C |
| InChIKey | LLPWGHLVUPBSLP-UTUOFQBUSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tri-O-acetyl-D-glucal (CAS 63640-41-5), with molecular formula C12H16O7 and molecular weight 272.09 g/mol. IUPAC: [(2R,3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate.
Chemical Property Profile of Tri-O-acetyl-D-glucal
Property Insights of Tri-O-acetyl-D-glucal
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tri-O-acetyl-D-glucal. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Tri-O-acetyl-D-glucal. Following Lipinski's Rule of Five, Tri-O-acetyl-D-glucal has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tri-O-acetyl-D-glucal?
The CAS number of Tri-O-acetyl-D-glucal is 63640-41-5.
What is the molecular formula of Tri-O-acetyl-D-glucal?
The molecular formula of Tri-O-acetyl-D-glucal is C12H16O7.
What is the molecular weight of Tri-O-acetyl-D-glucal?
The molecular weight of Tri-O-acetyl-D-glucal is 272.09 g/mol.
Where can I buy Tri-O-acetyl-D-glucal?
You can request a quote for Tri-O-acetyl-D-glucal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tri-O-acetyl-D-glucal?
Yes, KEHONG BIO provides custom synthesis services for Tri-O-acetyl-D-glucal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.