Methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate
TL;DR: Methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate (CAS 5298-71-5) is a chemical compound with molecular formula C17H20N2O11 and molecular weight 428.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate
Also Known As: KST-1B4887, 1-(2,3,4-tri-o-acetyl-6-methylhexopyranosyluronosyl)pyrimidine-2,4(1h,3h)-dione, methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate, 4-Hydroxy-1-(2,3,4-tri-O-acetyl-6-methylhexopyranosyluronosyl)pyrimidin-2(1H)-one, B-D-GLUCOPYRANURONIC ACID,1-DEOXY-1-(3,4-DIHYDRO-2,4-DIOXO-1(2H)-PYRIMIDINYL)-,METHYL ESTER, 2,3,4-TRIACETATE
| Molecular Formula | C17H20N2O11 |
|---|---|
| Molecular Weight | 428.11 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 428.10672 |
| Heavy Atoms | 30 |
| Complexity | 793.0 |
Chemical Identifiers
| CAS Number | 5298-71-5 |
|---|---|
| SMILES | CC(=O)OC1C(C(OC(C1OC(=O)C)N2C=CC(=O)NC2=O)C(=O)OC)OC(=O)C |
| InChIKey | VTISRKPGXZCEAO-UHFFFAOYSA-N |
Product Overview
Methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate (CAS 5298-71-5), with molecular formula C17H20N2O11 and molecular weight 428.11 g/mol. IUPAC: methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate.
Chemical Property Profile of Methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate
Property Insights of Methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate
The XLogP value of -1.2 indicates that Methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 164.0 Ų indicates high polarity, suggesting Methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate?
The CAS number of Methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate is 5298-71-5.
What is the molecular formula of Methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate?
The molecular formula of Methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate is C17H20N2O11.
What is the molecular weight of Methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate?
The molecular weight of Methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate is 428.11 g/mol.
Where can I buy Methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate?
You can request a quote for Methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,4,5-triacetyloxy-6-(2,4-dioxopyrimidin-1-yl)oxane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.