![[3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate structure](/static/products/278/27894-92-4.png)
[3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate
TL;DR: [3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate (CAS 27894-92-4) is a chemical compound with molecular formula C33H42O17S and molecular weight 742.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate
Also Known As: [3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate|b-D-Glucopyranoside, 4-methylphenyl4-O-(2,3,4,6-tetra-O-acetyl-a-D-glucopyranosyl)-1-thio-, triacetate
| Molecular Formula | C33H42O17S |
|---|---|
| Molecular Weight | 742.21 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 237.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 20 |
| Exact Mass | 742.2143 |
| Heavy Atoms | 51 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 27894-92-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2C(C(C(C(O2)COC(=O)C)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | XPESVSIBQABDCQ-UHFFFAOYSA-N |
Product Overview
[3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate (CAS 27894-92-4), with molecular formula C33H42O17S and molecular weight 742.21 g/mol. IUPAC: [3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate.
Chemical Property Profile of [3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate
Property Insights of [3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate. The TPSA of 237.0 Ų indicates high polarity, suggesting [3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate?
The CAS number of [3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate is 27894-92-4.
What is the molecular formula of [3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate?
The molecular formula of [3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate is C33H42O17S.
What is the molecular weight of [3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate?
The molecular weight of [3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate is 742.21 g/mol.
Where can I buy [3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate?
You can request a quote for [3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [3,4,5-triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(4-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.