(Ethoxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester
TL;DR: (Ethoxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester (CAS 115365-36-1) is a chemical compound with molecular formula C14H20ClN2O9P and molecular weight 426.0595 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-ethoxycarbonylphosphinic acid
Also Known As: (Ethoxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester, [(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-ethoxycarbonyl-phosphinic acid, (Ethoxycarbonyl) phosphonic acid 1-[5-(2-chloro-ethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-2-deoxy-Beta-D-erythro-pentofuranos-5-yl ester, [(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-ethoxycarbonylphosphinic acid, 5-(2-Chloroethyl)-1-{2-deoxy-5-O-[(ethoxycarbonyl)(hydroxy)phosphoryl]-beta-D-erythro-pentofuranosyl}-4-hydroxypyrimidin-2(1H)-one
Technical Specifications
| Molecular Formula | C14H20ClN2O9P |
| Molecular Weight | 426.0595 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 426.0595 Da |
| Heavy Atoms | 27 |
| Complexity | 685.0 |
| SMILES | CCOC(=O)P(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)CCCl)O |
| InChIKey | KALJOENUGQBZRR-HBNTYKKESA-N |
Chemical Property Profile of (Ethoxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester
Property Insights of (Ethoxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester
The XLogP value of -1.1 indicates that (Ethoxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.0 Ų indicates high polarity, suggesting (Ethoxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Ethoxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (Ethoxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester?
The CAS number of (Ethoxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester is 115365-36-1.
What is the molecular formula of (Ethoxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester?
The molecular formula of (Ethoxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester is C14H20ClN2O9P.
What is the molecular weight of (Ethoxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester?
The molecular weight of (Ethoxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester is 426.0595 g/mol.
Where can I buy (Ethoxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester?
You can request a quote for (Ethoxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (Ethoxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester?
Yes, CoreyChem provides custom synthesis services for (Ethoxycarbonyl) phosphonic acid 1-(5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.