3,4,6-Tri-O-acetyl-D-allal
TL;DR: 3,4,6-Tri-O-acetyl-D-allal (CAS 52485-06-0) 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,4S)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
Also Known As: 3,4,6-Tri-O-acetyl-D-allal, 2-(Acetoxymethyl)-3,4-dihydro-2H-pyran-3,4-diyl (2R,3S,4S)-Diacetate, 3,4,6-Tri-O-acetyl-1,5-anhydro-2-deoxy-D-ribo-hex-1-enitol, 2alpha-(Acetoxymethyl)-3beta,4beta-diacetoxy-3,4-dihydro-2H-pyran, 3beta,4beta-Diacetoxy-2alpha-(acetoxymethyl)-3,4-dihydro-2H-pyran
| Molecular Formula | C12H16O7 |
|---|---|
| Molecular Weight | 272.09 g/mol |
| LogP | 0.3254 |
| Topological Polar Surface Area | 88.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.0896 |
| Heavy Atoms | 19 |
| Complexity | 387.53912 |
Chemical Identifiers
| CAS Number | 52485-06-0 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@H](C=CO1)OC(=O)C)OC(=O)C |
Product Overview
3,4,6-Tri-O-acetyl-D-allal (CAS 52485-06-0), with molecular formula C12H16O7 and molecular weight 272.09 g/mol. IUPAC: [(2R,3S,4S)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate.
Chemical Property Profile of 3,4,6-Tri-O-acetyl-D-allal
Property Insights of 3,4,6-Tri-O-acetyl-D-allal
The XLogP value of 0.3254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,6-Tri-O-acetyl-D-allal. The TPSA of 88.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,6-Tri-O-acetyl-D-allal. Following Lipinski's Rule of Five, 3,4,6-Tri-O-acetyl-D-allal 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-acetyl-D-allal?
The CAS number of 3,4,6-Tri-O-acetyl-D-allal is 52485-06-0.
What is the molecular formula of 3,4,6-Tri-O-acetyl-D-allal?
The molecular formula of 3,4,6-Tri-O-acetyl-D-allal is C12H16O7.
What is the molecular weight of 3,4,6-Tri-O-acetyl-D-allal?
The molecular weight of 3,4,6-Tri-O-acetyl-D-allal is 272.09 g/mol.
Where can I buy 3,4,6-Tri-O-acetyl-D-allal?
You can request a quote for 3,4,6-Tri-O-acetyl-D-allal 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-acetyl-D-allal?
Yes, KEHONG BIO provides custom synthesis services for 3,4,6-Tri-O-acetyl-D-allal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.