(Dimethoxy-phosphoryl)-acetic acid (2R,3S,5R)-5-(5-(2-chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester
TL;DR: (Dimethoxy-phosphoryl)-acetic acid (2R,3S,5R)-5-(5-(2-chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester (CAS 115365-38-3) is a chemical compound with molecular formula C15H22ClN2O9P and molecular weight 440.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] 2-dimethoxyphosphorylacetate
Also Known As: (Dimethoxy-phosphoryl)-acetic acid (2R,3S,5R)-5-(5-(2-chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester, Uridine,5-(2-chloroethyl)-2'-deoxy-, 3'-[(dimethoxyphosphinyl)acetate] (9CI), Uridine, 5-(2-chloroethyl)-2'-deoxy-, 3'-[(dimethoxyphosphinyl)acetate], (2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl 2-(dimethoxyphosphoryl)acetate, (Dimethoxy-phosphoryl)-acetic acid (2R,3S,5R)-5-[5-(2-chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-2-hydroxymethyl-tetrahydro-furan-3-yl ester
| Molecular Formula | C15H22ClN2O9P |
|---|---|
| Molecular Weight | 440.08 g/mol |
| LogP | -0.0046 |
| Topological Polar Surface Area | 146.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 440.07513 |
| Heavy Atoms | 28 |
| Complexity | 846.6487 |
Chemical Identifiers
| CAS Number | 115365-38-3 |
|---|---|
| SMILES | COP(=O)(CC(=O)O[C@H]1C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)CCCl)OC |
Product Overview
(Dimethoxy-phosphoryl)-acetic acid (2R,3S,5R)-5-(5-(2-chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester (CAS 115365-38-3), with molecular formula C15H22ClN2O9P and molecular weight 440.08 g/mol. IUPAC: [(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] 2-dimethoxyphosphorylacetate.
Chemical Property Profile of (Dimethoxy-phosphoryl)-acetic acid (2R,3S,5R)-5-(5-(2-chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester
Property Insights of (Dimethoxy-phosphoryl)-acetic acid (2R,3S,5R)-5-(5-(2-chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester
The XLogP value of -0.0046 indicates that (Dimethoxy-phosphoryl)-acetic acid (2R,3S,5R)-5-(5-(2-chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.15 Ų indicates high polarity, suggesting (Dimethoxy-phosphoryl)-acetic acid (2R,3S,5R)-5-(5-(2-chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Dimethoxy-phosphoryl)-acetic acid (2R,3S,5R)-5-(5-(2-chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Dimethoxy-phosphoryl)-acetic acid (2R,3S,5R)-5-(5-(2-chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester?
The CAS number of (Dimethoxy-phosphoryl)-acetic acid (2R,3S,5R)-5-(5-(2-chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester is 115365-38-3.
What is the molecular formula of (Dimethoxy-phosphoryl)-acetic acid (2R,3S,5R)-5-(5-(2-chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester?
The molecular formula of (Dimethoxy-phosphoryl)-acetic acid (2R,3S,5R)-5-(5-(2-chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester is C15H22ClN2O9P.
What is the molecular weight of (Dimethoxy-phosphoryl)-acetic acid (2R,3S,5R)-5-(5-(2-chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester?
The molecular weight of (Dimethoxy-phosphoryl)-acetic acid (2R,3S,5R)-5-(5-(2-chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester is 440.08 g/mol.
Where can I buy (Dimethoxy-phosphoryl)-acetic acid (2R,3S,5R)-5-(5-(2-chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester?
You can request a quote for (Dimethoxy-phosphoryl)-acetic acid (2R,3S,5R)-5-(5-(2-chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Dimethoxy-phosphoryl)-acetic acid (2R,3S,5R)-5-(5-(2-chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester?
Yes, KEHONG BIO provides custom synthesis services for (Dimethoxy-phosphoryl)-acetic acid (2R,3S,5R)-5-(5-(2-chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-hydroxymethyl-tetrahydro-furan-3-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.