((5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid
TL;DR: ((5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid (CAS 117627-17-5) is a chemical compound with molecular formula C11H18N3O9P and molecular weight 367.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2R,3S,4R,5R)-5-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
Also Known As: ((5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid, ((5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)hydroxyphosphoryl)acetic acid, {[5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid, 2-[[(2R,3S,4R,5R)-5-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]acetic acid, 2-[[(2R,3S,4R,5R)-5-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
| Molecular Formula | C11H18N3O9P |
|---|---|
| Molecular Weight | 367.08 g/mol |
| LogP | -2.4566 |
| Topological Polar Surface Area | 191.88 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.07806 |
| Heavy Atoms | 24 |
| Complexity | 585.08673 |
Chemical Identifiers
| CAS Number | 117627-17-5 |
|---|---|
| SMILES | C1=CN(C(=O)NC1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O)O |
Product Overview
((5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid (CAS 117627-17-5), with molecular formula C11H18N3O9P and molecular weight 367.08 g/mol. IUPAC: 2-[[(2R,3S,4R,5R)-5-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid.
Chemical Property Profile of ((5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid
Property Insights of ((5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid
The XLogP value of -2.4566 indicates that ((5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.88 Ų indicates high polarity, suggesting ((5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ((5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ((5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid?
The CAS number of ((5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid is 117627-17-5.
What is the molecular formula of ((5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid?
The molecular formula of ((5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid is C11H18N3O9P.
What is the molecular weight of ((5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid?
The molecular weight of ((5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid is 367.08 g/mol.
Where can I buy ((5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid?
You can request a quote for ((5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxytetrahydro-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-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for ((5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxytetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.