![[4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate structure](/static/products/4752/4752-87-8.webp)
[4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
TL;DR: [4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate (CAS 4752-87-8) is a chemical compound with molecular formula C31H40N2O19 and molecular weight 744.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
Also Known As: [4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate|[4,5-diacetoxy-6-(4-methoxy-2-oxo-pyrimidin-1-yl)-3-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate|2-[(Acetyloxy)methyl]-6-{[4,5-bis(acetyloxy)-2-[(acetyloxy)methyl]-6-(4-methoxy-2-oxopyrimidin-1(2H)-yl)oxan-3-yl]oxy}oxane-3,4,5-triyl triacetate|Acetic acid 4-acetoxy-6-acetoxymethyl-2-(4-methoxy-2-oxo-2H-pyrimidin-1-yl)-5-(3,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl ester
| Molecular Formula | C31H40N2O19 |
|---|---|
| Molecular Weight | 744.22 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 254.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 20 |
| Exact Mass | 744.22253 |
| Heavy Atoms | 52 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 4752-87-8 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)N2C=CC(=NC2=O)OC)OC(=O)C)OC(=O)C)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | DPSGZQDMGQZXGN-UHFFFAOYSA-N |
Product Overview
[4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate (CAS 4752-87-8), with molecular formula C31H40N2O19 and molecular weight 744.22 g/mol. IUPAC: [4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate.
Chemical Property Profile of [4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
Property Insights of [4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
The XLogP value of -0.3 indicates that [4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 254.0 Ų indicates high polarity, suggesting [4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate has 0 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate?
The CAS number of [4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate is 4752-87-8.
What is the molecular formula of [4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate?
The molecular formula of [4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate is C31H40N2O19.
What is the molecular weight of [4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate?
The molecular weight of [4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate is 744.22 g/mol.
Where can I buy [4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate?
You can request a quote for [4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-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 [4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [4,5-diacetyloxy-6-(4-methoxy-2-oxopyrimidin-1-yl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.