5-Nitro-2'-deoxyuridine 5'-monophosphate
TL;DR: 5-Nitro-2'-deoxyuridine 5'-monophosphate (CAS 63689-79-2) is a chemical compound with molecular formula C9H12N3O10P and molecular weight 353.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-3-hydroxy-5-(5-nitro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
Also Known As: 5-Nitro-2'-deoxyuridylate, 5-Nitro-2'-deoxyuridine 5'-monophosphate, 5-nitro-2'-deoxyuridylic acid, 5-NITRODEOXYURIDYLIC ACID, 5'-Uridylic acid, 2'-deoxy-5-nitro-
| Molecular Formula | C9H12N3O10P |
|---|---|
| Molecular Weight | 353.03 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.02603 |
| Heavy Atoms | 23 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 63689-79-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O)O |
| InChIKey | LVLPVLNNXRTCHP-RRKCRQDMSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitro-2'-deoxyuridine 5'-monophosphate (CAS 63689-79-2), with molecular formula C9H12N3O10P and molecular weight 353.03 g/mol. IUPAC: [(2R,3S,5R)-3-hydroxy-5-(5-nitro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate.
Chemical Property Profile of 5-Nitro-2'-deoxyuridine 5'-monophosphate
Property Insights of 5-Nitro-2'-deoxyuridine 5'-monophosphate
The XLogP value of -3.2 indicates that 5-Nitro-2'-deoxyuridine 5'-monophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 191.0 Ų indicates high polarity, suggesting 5-Nitro-2'-deoxyuridine 5'-monophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Nitro-2'-deoxyuridine 5'-monophosphate has 4 hydrogen bond donor(s) and 10 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-Nitro-2'-deoxyuridine 5'-monophosphate?
The CAS number of 5-Nitro-2'-deoxyuridine 5'-monophosphate is 63689-79-2.
What is the molecular formula of 5-Nitro-2'-deoxyuridine 5'-monophosphate?
The molecular formula of 5-Nitro-2'-deoxyuridine 5'-monophosphate is C9H12N3O10P.
What is the molecular weight of 5-Nitro-2'-deoxyuridine 5'-monophosphate?
The molecular weight of 5-Nitro-2'-deoxyuridine 5'-monophosphate is 353.03 g/mol.
Where can I buy 5-Nitro-2'-deoxyuridine 5'-monophosphate?
You can request a quote for 5-Nitro-2'-deoxyuridine 5'-monophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2'-deoxyuridine 5'-monophosphate?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2'-deoxyuridine 5'-monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.