(((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide
TL;DR: (((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide (CAS 115365-20-3) is a chemical compound with molecular formula C14H20IN2O9P and molecular weight 518.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphoryl]acetate
Also Known As: (((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide, [[[1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-Beta-D-erythro-pentofuranos-5-yl]oxy]methoxyphosphinyl]-acetic acid ethyl ester oxide, 1-{2-Deoxy-5-O-[(2-ethoxy-2-oxoethyl)(methoxy)phosphoryl]-beta-D-erythro-pentofuranosyl}-4-hydroxy-5-iodopyrimidin-2(1H)-one, 1-{2-Deoxy-5-O-[(2-ethoxy-2-oxoethyl)(methoxy)phosphoryl]pentofuranosyl}-4-hydroxy-5-iodopyrimidin-2(1H)-one, ethyl 2-[[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-methoxy-phosphoryl]acetate
| Molecular Formula | C14H20IN2O9P |
|---|---|
| Molecular Weight | 518.00 g/mol |
| LogP | 0.2088 |
| Topological Polar Surface Area | 146.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 517.9951 |
| Heavy Atoms | 27 |
| Complexity | 838.61224 |
Chemical Identifiers
| CAS Number | 115365-20-3 |
|---|---|
| SMILES | CCOC(=O)CP(=O)(OC)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)I)O |
Product Overview
(((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide (CAS 115365-20-3), with molecular formula C14H20IN2O9P and molecular weight 518.00 g/mol. IUPAC: ethyl 2-[[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphoryl]acetate.
Chemical Property Profile of (((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide
Property Insights of (((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide
The XLogP value of 0.2088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide. The TPSA of 146.15 Ų indicates high polarity, suggesting (((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide?
The CAS number of (((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide is 115365-20-3.
What is the molecular formula of (((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide?
The molecular formula of (((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide is C14H20IN2O9P.
What is the molecular weight of (((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide?
The molecular weight of (((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide is 518.00 g/mol.
Where can I buy (((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide?
You can request a quote for (((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide?
Yes, KEHONG BIO provides custom synthesis services for (((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinyl)acetic acid ethyl ester oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.