(((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid
TL;DR: (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid (CAS 115365-27-0) is a chemical compound with molecular formula C13H18ClN2O9P and molecular weight 412.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
Also Known As: (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid, ({(2R,3S,5R)-5-[5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid, (carboxymethyl)phosphonic acid 5-(2-chloroethyl)-2'-deoxyuridin-5'-yl ester, Uridine, 5-(2-chloroethyl)-2'-deoxy-, 5'-[hydrogen (carboxymethyl)phosphonate], Uridine,5-(2-chloroethyl)-2'-deoxy-, 5'-[hydrogen (carboxymethyl)phosphonate] (9CI)
| Molecular Formula | C13H18ClN2O9P |
|---|---|
| Molecular Weight | 412.04 g/mol |
| LogP | -0.7471 |
| Topological Polar Surface Area | 168.15 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.04385 |
| Heavy Atoms | 26 |
| Complexity | 822.5681 |
Chemical Identifiers
| CAS Number | 115365-27-0 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCCl)COP(=O)(CC(=O)O)O)O |
Product Overview
(((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid (CAS 115365-27-0), with molecular formula C13H18ClN2O9P and molecular weight 412.04 g/mol. IUPAC: 2-[[(2R,3S,5R)-5-[5-(2-chloroethyl)-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid.
Chemical Property Profile of (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid
Property Insights of (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid
The XLogP value of -0.7471 indicates that (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 168.15 Ų indicates high polarity, suggesting (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid has 4 hydrogen bond donor(s) and 7 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 (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid?
The CAS number of (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid is 115365-27-0.
What is the molecular formula of (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid?
The molecular formula of (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid is C13H18ClN2O9P.
What is the molecular weight of (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid?
The molecular weight of (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid is 412.04 g/mol.
Where can I buy (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid?
You can request a quote for (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (((2R,3S,5R)-5-(5-(2-Chloro-ethyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy}-hydroxy-phosphoryl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.