![[[5-[2,4-dioxo-5-(prop-2-enylamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate structure](/static/products/752/75221-88-4.png)
[[5-[2,4-dioxo-5-(prop-2-enylamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
TL;DR: [[5-[2,4-dioxo-5-(prop-2-enylamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (CAS 75221-88-4) is a chemical compound with molecular formula C12H20N3O15P3 and molecular weight 539.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[5-[2,4-dioxo-5-(prop-2-enylamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: [[5-[2,4-dioxo-5-(prop-2-enylamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
| Molecular Formula | C12H20N3O15P3 |
|---|---|
| Molecular Weight | 539.01 g/mol |
| LogP | -1.903 |
| Topological Polar Surface Area | 276.4 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 539.01074 |
| Heavy Atoms | 33 |
| Complexity | 1127.1028 |
Chemical Identifiers
| CAS Number | 75221-88-4 |
|---|---|
| SMILES | C=CCNC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O |
Product Overview
[[5-[2,4-dioxo-5-(prop-2-enylamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (CAS 75221-88-4), with molecular formula C12H20N3O15P3 and molecular weight 539.01 g/mol. IUPAC: [[5-[2,4-dioxo-5-(prop-2-enylamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of [[5-[2,4-dioxo-5-(prop-2-enylamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Property Insights of [[5-[2,4-dioxo-5-(prop-2-enylamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
The XLogP value of -1.903 indicates that [[5-[2,4-dioxo-5-(prop-2-enylamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 276.4 Ų indicates high polarity, suggesting [[5-[2,4-dioxo-5-(prop-2-enylamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [[5-[2,4-dioxo-5-(prop-2-enylamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [[5-[2,4-dioxo-5-(prop-2-enylamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
The CAS number of [[5-[2,4-dioxo-5-(prop-2-enylamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is 75221-88-4.
What is the molecular formula of [[5-[2,4-dioxo-5-(prop-2-enylamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
The molecular formula of [[5-[2,4-dioxo-5-(prop-2-enylamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is C12H20N3O15P3.
What is the molecular weight of [[5-[2,4-dioxo-5-(prop-2-enylamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
The molecular weight of [[5-[2,4-dioxo-5-(prop-2-enylamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is 539.01 g/mol.
Where can I buy [[5-[2,4-dioxo-5-(prop-2-enylamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
You can request a quote for [[5-[2,4-dioxo-5-(prop-2-enylamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate 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-(prop-2-enylamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
Yes, KEHONG BIO provides custom synthesis services for [[5-[2,4-dioxo-5-(prop-2-enylamino)pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.