3-O-Acetyl-6-O-benzoyl-5-O-methylsulfonyl-1,2-O-isopropylidene-a-D-glucofuranose
TL;DR: 3-O-Acetyl-6-O-benzoyl-5-O-methylsulfonyl-1,2-O-isopropylidene-a-D-glucofuranose (CAS 102029-58-3) is a chemical compound with molecular formula C19H24O10S and molecular weight 444.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(6-acetyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-methylsulfonyloxyethyl] benzoate
Also Known As: 3-O-Acetyl-6-O-benzoyl-5-O-methylsulfonyl-1,2-O-isopropylidene-a-D-glucofuranose, [(2R)-2-[(3aR,5S,6S,6aR)-6-acetyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-methylsulfonyloxyethyl] benzoate, [2-(6-acetyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-methylsulfonyloxyethyl] benzoate, 3-O-ACETYL-6-O -BENZOYL-5-O-(METHYLSULFONYL)-1,2-O-ISOPROPYLIDENE-ALPHA-D-GLUCOFURANOSE
| Molecular Formula | C19H24O10S |
|---|---|
| Molecular Weight | 444.11 g/mol |
| LogP | 0.9963 |
| Topological Polar Surface Area | 123.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.109 |
| Heavy Atoms | 30 |
| Complexity | 881.836 |
Chemical Identifiers
| CAS Number | 102029-58-3 |
|---|---|
| SMILES | CC(=O)OC1C2C(OC1C(COC(=O)C3=CC=CC=C3)OS(=O)(=O)C)OC(O2)(C)C |
Product Overview
3-O-Acetyl-6-O-benzoyl-5-O-methylsulfonyl-1,2-O-isopropylidene-a-D-glucofuranose (CAS 102029-58-3), with molecular formula C19H24O10S and molecular weight 444.11 g/mol. IUPAC: [2-(6-acetyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-methylsulfonyloxyethyl] benzoate.
Chemical Property Profile of 3-O-Acetyl-6-O-benzoyl-5-O-methylsulfonyl-1,2-O-isopropylidene-a-D-glucofuranose
Property Insights of 3-O-Acetyl-6-O-benzoyl-5-O-methylsulfonyl-1,2-O-isopropylidene-a-D-glucofuranose
The XLogP value of 0.9963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-O-Acetyl-6-O-benzoyl-5-O-methylsulfonyl-1,2-O-isopropylidene-a-D-glucofuranose. The TPSA of 123.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-O-Acetyl-6-O-benzoyl-5-O-methylsulfonyl-1,2-O-isopropylidene-a-D-glucofuranose. Following Lipinski's Rule of Five, 3-O-Acetyl-6-O-benzoyl-5-O-methylsulfonyl-1,2-O-isopropylidene-a-D-glucofuranose has 0 hydrogen bond donor(s) and 10 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-O-Acetyl-6-O-benzoyl-5-O-methylsulfonyl-1,2-O-isopropylidene-a-D-glucofuranose?
The CAS number of 3-O-Acetyl-6-O-benzoyl-5-O-methylsulfonyl-1,2-O-isopropylidene-a-D-glucofuranose is 102029-58-3.
What is the molecular formula of 3-O-Acetyl-6-O-benzoyl-5-O-methylsulfonyl-1,2-O-isopropylidene-a-D-glucofuranose?
The molecular formula of 3-O-Acetyl-6-O-benzoyl-5-O-methylsulfonyl-1,2-O-isopropylidene-a-D-glucofuranose is C19H24O10S.
What is the molecular weight of 3-O-Acetyl-6-O-benzoyl-5-O-methylsulfonyl-1,2-O-isopropylidene-a-D-glucofuranose?
The molecular weight of 3-O-Acetyl-6-O-benzoyl-5-O-methylsulfonyl-1,2-O-isopropylidene-a-D-glucofuranose is 444.11 g/mol.
Where can I buy 3-O-Acetyl-6-O-benzoyl-5-O-methylsulfonyl-1,2-O-isopropylidene-a-D-glucofuranose?
You can request a quote for 3-O-Acetyl-6-O-benzoyl-5-O-methylsulfonyl-1,2-O-isopropylidene-a-D-glucofuranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-Acetyl-6-O-benzoyl-5-O-methylsulfonyl-1,2-O-isopropylidene-a-D-glucofuranose?
Yes, KEHONG BIO provides custom synthesis services for 3-O-Acetyl-6-O-benzoyl-5-O-methylsulfonyl-1,2-O-isopropylidene-a-D-glucofuranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.