(Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-methyl-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester
TL;DR: (Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-methyl-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester (CAS 115365-22-5) is a chemical compound with molecular formula C14H21N2O9P and molecular weight 392.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-dimethoxyphosphorylacetate
Also Known As: (Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-methyl-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester, [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 2-dimethoxyphosphorylacetate, [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-dimethoxyphosphorylacetate, 1-{2-Deoxy-5-O-[(dimethoxyphosphoryl)acetyl]-beta-D-erythro-pentofuranosyl}-4-hydroxy-5-methylpyrimidin-2(1H)-one, 1-{2-Deoxy-5-O-[(dimethoxyphosphoryl)acetyl]pentofuranosyl}-4-hydroxy-5-methylpyrimidin-2(1H)-one
| Molecular Formula | C14H21N2O9P |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | -0.47748 |
| Topological Polar Surface Area | 146.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.09848 |
| Heavy Atoms | 26 |
| Complexity | 809.37085 |
Chemical Identifiers
| CAS Number | 115365-22-5 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)CP(=O)(OC)OC)O |
Product Overview
(Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-methyl-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester (CAS 115365-22-5), with molecular formula C14H21N2O9P and molecular weight 392.10 g/mol. IUPAC: [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-dimethoxyphosphorylacetate.
Chemical Property Profile of (Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-methyl-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester
Property Insights of (Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-methyl-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester
The XLogP value of -0.47748 indicates that (Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-methyl-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-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 (Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-methyl-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-methyl-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-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 (Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-methyl-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester?
The CAS number of (Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-methyl-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester is 115365-22-5.
What is the molecular formula of (Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-methyl-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester?
The molecular formula of (Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-methyl-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester is C14H21N2O9P.
What is the molecular weight of (Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-methyl-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester?
The molecular weight of (Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-methyl-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester is 392.10 g/mol.
Where can I buy (Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-methyl-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester?
You can request a quote for (Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-methyl-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-methyl-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester?
Yes, KEHONG BIO provides custom synthesis services for (Dimethoxyphosphinyl)acetic acid 1-(2,4-dioxo-5-methyl-1,2,3,4-tetrahydropyrimidin-1-yl)-2-Beta-D-erythro-pentofuranos-5-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.