3,4-Di-O-acetyl-1,6-anhydro-2-O-p-toluenesulfonyl-beta-D-glucopyranose
TL;DR: 3,4-Di-O-acetyl-1,6-anhydro-2-O-p-toluenesulfonyl-beta-D-glucopyranose (CAS 85582-31-6) is a chemical compound with molecular formula C17H20O9S and molecular weight 400.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-acetyloxy-4-(4-methylphenyl)sulfonyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate
Also Known As: 3,4-Di-O-acetyl-1,6-anhydro-2-O-p-toluenesulfonyl-beta-D-glucopyranose, 3,4-Di-O-acetyl-1,6-anhydro-2-O-p-toluenesulfonyl-b-D-glucopyranose, [3-acetyloxy-4-(4-methylphenyl)sulfonyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate, 3,4-Di-O-acetyl-1,6-anhydro-2-O-p-toluenesulfonyl- beta -D-glucopyranose, 3,4-Di-O-acetyl-1,6-anhydro-2-O-p-toluenesulfonyl-I(2)-D-glucopyranose
| Molecular Formula | C17H20O9S |
|---|---|
| Molecular Weight | 400.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.0828 |
| Heavy Atoms | 27 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 85582-31-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(C3COC2O3)OC(=O)C)OC(=O)C |
| InChIKey | JYMOPIWZWABELF-UHFFFAOYSA-N |
Product Overview
3,4-Di-O-acetyl-1,6-anhydro-2-O-p-toluenesulfonyl-beta-D-glucopyranose (CAS 85582-31-6), with molecular formula C17H20O9S and molecular weight 400.08 g/mol. IUPAC: [3-acetyloxy-4-(4-methylphenyl)sulfonyloxy-6,8-dioxabicyclo[3.2.1]octan-2-yl] acetate.
Chemical Property Profile of 3,4-Di-O-acetyl-1,6-anhydro-2-O-p-toluenesulfonyl-beta-D-glucopyranose
Property Insights of 3,4-Di-O-acetyl-1,6-anhydro-2-O-p-toluenesulfonyl-beta-D-glucopyranose
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Di-O-acetyl-1,6-anhydro-2-O-p-toluenesulfonyl-beta-D-glucopyranose. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Di-O-acetyl-1,6-anhydro-2-O-p-toluenesulfonyl-beta-D-glucopyranose. Following Lipinski's Rule of Five, 3,4-Di-O-acetyl-1,6-anhydro-2-O-p-toluenesulfonyl-beta-D-glucopyranose has 0 hydrogen bond donor(s) and 9 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-1,6-anhydro-2-O-p-toluenesulfonyl-beta-D-glucopyranose?
The CAS number of 3,4-Di-O-acetyl-1,6-anhydro-2-O-p-toluenesulfonyl-beta-D-glucopyranose is 85582-31-6.
What is the molecular formula of 3,4-Di-O-acetyl-1,6-anhydro-2-O-p-toluenesulfonyl-beta-D-glucopyranose?
The molecular formula of 3,4-Di-O-acetyl-1,6-anhydro-2-O-p-toluenesulfonyl-beta-D-glucopyranose is C17H20O9S.
What is the molecular weight of 3,4-Di-O-acetyl-1,6-anhydro-2-O-p-toluenesulfonyl-beta-D-glucopyranose?
The molecular weight of 3,4-Di-O-acetyl-1,6-anhydro-2-O-p-toluenesulfonyl-beta-D-glucopyranose is 400.08 g/mol.
Where can I buy 3,4-Di-O-acetyl-1,6-anhydro-2-O-p-toluenesulfonyl-beta-D-glucopyranose?
You can request a quote for 3,4-Di-O-acetyl-1,6-anhydro-2-O-p-toluenesulfonyl-beta-D-glucopyranose 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-1,6-anhydro-2-O-p-toluenesulfonyl-beta-D-glucopyranose?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Di-O-acetyl-1,6-anhydro-2-O-p-toluenesulfonyl-beta-D-glucopyranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.