3,4-Di-O-acetyl-D-glucuronal methyl ester
TL;DR: 3,4-Di-O-acetyl-D-glucuronal methyl ester (CAS 34296-99-6) is a chemical compound with molecular formula C11H14O7 and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,3R,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-carboxylate
Also Known As: D-Glucuronal 3,4-Diacetate Methyl Ester, 3,4-Di-O-acetyl-D-glucuronal methyl ester, J3.176.129H, 1,2-Dideoxy-D-lyxo-hex-1-enopyranuronic acid diacetate methyl ester, 2,6-Anhydro-5-deoxy-D-arabino-Hex-5-enonic Acid Diacetate Methyl Ester
| Molecular Formula | C11H14O7 |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | -0.0647 |
| Topological Polar Surface Area | 88.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.07394 |
| Heavy Atoms | 18 |
| Complexity | 373.588 |
Chemical Identifiers
| CAS Number | 34296-99-6 |
|---|---|
| SMILES | CC(=O)O[C@@H]1C=CO[C@@H]([C@@H]1OC(=O)C)C(=O)OC |
Product Overview
3,4-Di-O-acetyl-D-glucuronal methyl ester (CAS 34296-99-6), with molecular formula C11H14O7 and molecular weight 258.07 g/mol. IUPAC: methyl (2S,3R,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-carboxylate.
Chemical Property Profile of 3,4-Di-O-acetyl-D-glucuronal methyl ester
Property Insights of 3,4-Di-O-acetyl-D-glucuronal methyl ester
The XLogP value of -0.0647 indicates that 3,4-Di-O-acetyl-D-glucuronal methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Di-O-acetyl-D-glucuronal methyl ester. Following Lipinski's Rule of Five, 3,4-Di-O-acetyl-D-glucuronal methyl ester 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-Di-O-acetyl-D-glucuronal methyl ester?
The CAS number of 3,4-Di-O-acetyl-D-glucuronal methyl ester is 34296-99-6.
What is the molecular formula of 3,4-Di-O-acetyl-D-glucuronal methyl ester?
The molecular formula of 3,4-Di-O-acetyl-D-glucuronal methyl ester is C11H14O7.
What is the molecular weight of 3,4-Di-O-acetyl-D-glucuronal methyl ester?
The molecular weight of 3,4-Di-O-acetyl-D-glucuronal methyl ester is 258.07 g/mol.
Where can I buy 3,4-Di-O-acetyl-D-glucuronal methyl ester?
You can request a quote for 3,4-Di-O-acetyl-D-glucuronal methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Di-O-acetyl-D-glucuronal methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Di-O-acetyl-D-glucuronal methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.