((5-(2,4-Dioxo-5-vinyl-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)acetic acid
TL;DR: ((5-(2,4-Dioxo-5-vinyl-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)acetic acid (CAS 117627-30-2) is a chemical compound with molecular formula C13H17N2O9P and molecular weight 376.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2R,3S,5R)-5-(5-ethenyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
Also Known As: ((5-(2,4-Dioxo-5-vinyl-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)acetic acid, ((5-(2,4-Dioxo-5-vinyl-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid, {[5-(2,4-Dioxo-5-vinyl-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid, 1-{5-O-[(Carboxymethyl)(hydroxy)phosphoryl]-2-deoxy-beta-D-erythro-pentofuranosyl}-5-ethenyl-4-hydroxypyrimidin-2(1H)-one, 1-{5-O-[(Carboxymethyl)(hydroxy)phosphoryl]-2-deoxypentofuranosyl}-5-ethenyl-4-hydroxypyrimidin-2(1H)-one
| Molecular Formula | C13H17N2O9P |
|---|---|
| Molecular Weight | 376.07 g/mol |
| LogP | -0.8854 |
| Topological Polar Surface Area | 168.15 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.06717 |
| Heavy Atoms | 25 |
| Complexity | 829.524 |
Chemical Identifiers
| CAS Number | 117627-30-2 |
|---|---|
| SMILES | C=CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O |
Product Overview
((5-(2,4-Dioxo-5-vinyl-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)acetic acid (CAS 117627-30-2), with molecular formula C13H17N2O9P and molecular weight 376.07 g/mol. IUPAC: 2-[[(2R,3S,5R)-5-(5-ethenyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid.
Chemical Property Profile of ((5-(2,4-Dioxo-5-vinyl-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)acetic acid
Property Insights of ((5-(2,4-Dioxo-5-vinyl-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)acetic acid
The XLogP value of -0.8854 indicates that ((5-(2,4-Dioxo-5-vinyl-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 ((5-(2,4-Dioxo-5-vinyl-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, ((5-(2,4-Dioxo-5-vinyl-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 ((5-(2,4-Dioxo-5-vinyl-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)acetic acid?
The CAS number of ((5-(2,4-Dioxo-5-vinyl-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)acetic acid is 117627-30-2.
What is the molecular formula of ((5-(2,4-Dioxo-5-vinyl-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)acetic acid?
The molecular formula of ((5-(2,4-Dioxo-5-vinyl-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)acetic acid is C13H17N2O9P.
What is the molecular weight of ((5-(2,4-Dioxo-5-vinyl-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)acetic acid?
The molecular weight of ((5-(2,4-Dioxo-5-vinyl-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)acetic acid is 376.07 g/mol.
Where can I buy ((5-(2,4-Dioxo-5-vinyl-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)acetic acid?
You can request a quote for ((5-(2,4-Dioxo-5-vinyl-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 ((5-(2,4-Dioxo-5-vinyl-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 ((5-(2,4-Dioxo-5-vinyl-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.