3,4,6-Tri-O-acetylglucal
TL;DR: 3,4,6-Tri-O-acetylglucal (CAS 2873-29-2) 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.
(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, Tri-O-acetylglucal, Triacetyl-D-glucal, D-Glucal triacetate
| 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 | 2873-29-2 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C=CO1)OC(=O)C)OC(=O)C |
| InChIKey | LLPWGHLVUPBSLP-UHFFFAOYSA-N |
Product Overview
3,4,6-Tri-O-acetylglucal (CAS 2873-29-2), with molecular formula C12H16O7 and molecular weight 272.09 g/mol. IUPAC: (3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl)methyl acetate.
Chemical Property Profile of 3,4,6-Tri-O-acetylglucal
Property Insights of 3,4,6-Tri-O-acetylglucal
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,6-Tri-O-acetylglucal. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,6-Tri-O-acetylglucal. Following Lipinski's Rule of Five, 3,4,6-Tri-O-acetylglucal 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 3,4,6-Tri-O-acetylglucal?
The CAS number of 3,4,6-Tri-O-acetylglucal is 2873-29-2.
What is the molecular formula of 3,4,6-Tri-O-acetylglucal?
The molecular formula of 3,4,6-Tri-O-acetylglucal is C12H16O7.
What is the molecular weight of 3,4,6-Tri-O-acetylglucal?
The molecular weight of 3,4,6-Tri-O-acetylglucal is 272.09 g/mol.
Where can I buy 3,4,6-Tri-O-acetylglucal?
You can request a quote for 3,4,6-Tri-O-acetylglucal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,6-Tri-O-acetylglucal?
Yes, KEHONG BIO provides custom synthesis services for 3,4,6-Tri-O-acetylglucal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.