((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid
TL;DR: ((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid (CAS 117626-82-1) is a chemical compound with molecular formula C11H16N3O9P and molecular weight 365.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2R,3S,4R,5S)-5-(2-amino-6-oxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid
Also Known As: ((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid, 2-((((2R,3S,4R,5S)-5-(2-Amino-4-oxo-1,4-dihydropyrimidin-5-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)acetic acid, (1S)-1,4-Anhydro-5-O-[(carboxymethyl)(hydroxy)phosphoryl]-1-(4-hydroxy-2-imino-1,2-dihydropyrimidin-5-yl)-D-ribitol, {[5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphoryl}-acetic acid, 1,4-Anhydro-5-O-[(carboxymethyl)(hydroxy)phosphoryl]-1-(4-hydroxy-2-imino-1,2-dihydropyrimidin-5-yl)pentitol
| Molecular Formula | C11H16N3O9P |
|---|---|
| Molecular Weight | 365.06 g/mol |
| LogP | -2.1996 |
| Topological Polar Surface Area | 205.29 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.0624 |
| Heavy Atoms | 24 |
| Complexity | 722.93616 |
Chemical Identifiers
| CAS Number | 117626-82-1 |
|---|---|
| SMILES | C1=C(C(=O)NC(=N1)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CC(=O)O)O)O)O |
Product Overview
((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid (CAS 117626-82-1), with molecular formula C11H16N3O9P and molecular weight 365.06 g/mol. IUPAC: 2-[[(2R,3S,4R,5S)-5-(2-amino-6-oxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]acetic acid.
Chemical Property Profile of ((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid
Property Insights of ((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid
The XLogP value of -2.1996 indicates that ((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-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 205.29 Ų indicates high polarity, suggesting ((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-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-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid has 6 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 ((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid?
The CAS number of ((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid is 117626-82-1.
What is the molecular formula of ((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid?
The molecular formula of ((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid is C11H16N3O9P.
What is the molecular weight of ((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid?
The molecular weight of ((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid is 365.06 g/mol.
Where can I buy ((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid?
You can request a quote for ((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-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-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for ((5-(2-Amino-4-oxo-1,4-dihydro-pyrimidin-5-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy)-hydroxy-phosphoryl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.