iyl triacetate
TL;DR: iyl triacetate (CAS 1397182-51-2) is a chemical compound with molecular formula C36H40O21 and molecular weight 808.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,5-diacetyloxy-6-(5-hydroxy-1,4-dioxonaphthalen-2-yl)oxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
Also Known As: iyl triacetate, (2R,3R,4R,5R,6R)-2-(acetoxymethyl)-6-(((2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-((5-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-tr, (2R,3R,4R,5R,6R)-2-(acetoxymethyl)-6-(((2R,3R,4S,5R,6S)-4,5-diacetoxy-2-(acetoxymethyl)-6-((5-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate [M+H]+, [4,5-diacetyloxy-6-(5-hydroxy-1,4-dioxonaphthalen-2-yl)oxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate, 5-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl 2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)hexopyranoside
| Molecular Formula | C36H40O21 |
|---|---|
| Molecular Weight | 808.21 g/mol |
| LogP | 0.2914 |
| Topological Polar Surface Area | 275.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 13 |
| Exact Mass | 808.20624 |
| Heavy Atoms | 57 |
| Complexity | 1815.8278 |
Chemical Identifiers
| CAS Number | 1397182-51-2 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC2=CC(=O)C3=C(C2=O)C=CC=C3O)OC(=O)C)OC(=O)C)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
iyl triacetate (CAS 1397182-51-2), with molecular formula C36H40O21 and molecular weight 808.21 g/mol. IUPAC: [4,5-diacetyloxy-6-(5-hydroxy-1,4-dioxonaphthalen-2-yl)oxy-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate.
Chemical Property Profile of iyl triacetate
Property Insights of iyl triacetate
The XLogP value of 0.2914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for iyl triacetate. The TPSA of 275.39 Ų indicates high polarity, suggesting iyl triacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, iyl triacetate has 1 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of iyl triacetate?
The CAS number of iyl triacetate is 1397182-51-2.
What is the molecular formula of iyl triacetate?
The molecular formula of iyl triacetate is C36H40O21.
What is the molecular weight of iyl triacetate?
The molecular weight of iyl triacetate is 808.21 g/mol.
Where can I buy iyl triacetate?
You can request a quote for iyl triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for iyl triacetate?
Yes, KEHONG BIO provides custom synthesis services for iyl triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.