((((1-(5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)-cabonyl)methyl)phosphonic acid
TL;DR: ((((1-(5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)-cabonyl)methyl)phosphonic acid (CAS 115365-24-7) is a chemical compound with molecular formula C13H18ClN2O9P and molecular weight 412.04385 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy]-2-oxoethyl]phosphonic acid
Also Known As: ((((1-(5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)-cabonyl)methyl)phosphonic acid, [[[[1-[5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl]-2-deoxy-Beta-D-erythro-pentofuranos-5-yl]-oxy]-cabonyl]-methyl]phosphonic acid, [2-[[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy]-2-oxo-ethyl]phosphonic acid, [2-[[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy]-2-oxoethyl]phosphonic acid, 5-(2-Chloroethyl)-1-[2-deoxy-5-O-(phosphonoacetyl)-beta-D-erythro-pentofuranosyl]-4-hydroxypyrimidin-2(1H)-one
Technical Specifications
| Molecular Formula | C13H18ClN2O9P |
| Molecular Weight | 412.04385 g/mol |
| XLogP | -2.5 |
| Topological Polar Surface Area (TPSA) | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.04385 Da |
| Heavy Atoms | 26 |
| Complexity | 664.0 |
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCCl)COC(=O)CP(=O)(O)O)O |
| InChIKey | AMMVQRMYXAHTGE-IVZWLZJFSA-N |
Chemical Property Profile of ((((1-(5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)-cabonyl)methyl)phosphonic acid
Property Insights of ((((1-(5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)-cabonyl)methyl)phosphonic acid
The XLogP value of -2.5 indicates that ((((1-(5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)-cabonyl)methyl)phosphonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting ((((1-(5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)-cabonyl)methyl)phosphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ((((1-(5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)-cabonyl)methyl)phosphonic acid has 4 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 ((((1-(5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)-cabonyl)methyl)phosphonic acid?
The CAS number of ((((1-(5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)-cabonyl)methyl)phosphonic acid is 115365-24-7.
What is the molecular formula of ((((1-(5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)-cabonyl)methyl)phosphonic acid?
The molecular formula of ((((1-(5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)-cabonyl)methyl)phosphonic acid is C13H18ClN2O9P.
What is the molecular weight of ((((1-(5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)-cabonyl)methyl)phosphonic acid?
The molecular weight of ((((1-(5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)-cabonyl)methyl)phosphonic acid is 412.04385 g/mol.
Where can I buy ((((1-(5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)-cabonyl)methyl)phosphonic acid?
You can request a quote for ((((1-(5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)-cabonyl)methyl)phosphonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ((((1-(5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)-cabonyl)methyl)phosphonic acid?
Yes, CoreyChem provides custom synthesis services for ((((1-(5-(2-Chloroethyl)-2,4-tetrahydropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)-oxy)-cabonyl)methyl)phosphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.