((1-(2,4-Dioxo-5-iodo-1,2,3,4-tetrahyropyrimidin-1-yl)-2-deoxy-beta-D-erythro-pentofuranos-5-yl)oxy)methoxyphosphinecarboxylic 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)methoxyphosphinecarboxylic acid ethyl ester oxide (CAS 115365-15-6) is a chemical compound with molecular formula C13H18IN2O9P and molecular weight 503.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl [[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphoryl]formate
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)methoxyphosphinecarboxylic acid ethyl ester oxide, 5-iodo-2'-deoxyuridine 5'-<(ethoxycarbonyl)-O-methyl>phosphonate, 5-iodo-2'-deoxyuridine 5'-[(ethoxycarbonyl)-O-methyl]phosphonate, ethyl [[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-methoxy-phosphoryl]formate, Uridine,2'-deoxy-5-iodo-, 5'-[methyl (ethoxycarbonyl)phosphonate] (9CI)
| Molecular Formula | C13H18IN2O9P |
|---|---|
| Molecular Weight | 503.98 g/mol |
| LogP | 0.8022 |
| Topological Polar Surface Area | 146.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.97946 |
| Heavy Atoms | 26 |
| Complexity | 822.5681 |
Chemical Identifiers
| CAS Number | 115365-15-6 |
|---|---|
| SMILES | CCOC(=O)P(=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)methoxyphosphinecarboxylic acid ethyl ester oxide (CAS 115365-15-6), with molecular formula C13H18IN2O9P and molecular weight 503.98 g/mol. IUPAC: ethyl [[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methoxyphosphoryl]formate.
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)methoxyphosphinecarboxylic 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)methoxyphosphinecarboxylic acid ethyl ester oxide
The XLogP value of 0.8022 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)methoxyphosphinecarboxylic 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)methoxyphosphinecarboxylic 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)methoxyphosphinecarboxylic 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)methoxyphosphinecarboxylic 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)methoxyphosphinecarboxylic acid ethyl ester oxide is 115365-15-6.
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)methoxyphosphinecarboxylic 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)methoxyphosphinecarboxylic acid ethyl ester oxide is C13H18IN2O9P.
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)methoxyphosphinecarboxylic 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)methoxyphosphinecarboxylic acid ethyl ester oxide is 503.98 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)methoxyphosphinecarboxylic 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)methoxyphosphinecarboxylic 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)methoxyphosphinecarboxylic 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)methoxyphosphinecarboxylic acid ethyl ester oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.