2'-Deoxy-5-iodouridine 5'-(tetrahydrogen triphosphate)
TL;DR: 2'-Deoxy-5-iodouridine 5'-(tetrahydrogen triphosphate) (CAS 3731-55-3) is a chemical compound with molecular formula C9H14IN2O14P3 and molecular weight 593.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Also Known As: dIUTP, 5-Iodo-dUTP, 5I-dUTP, 5-Iodo-2'-deoxyuridine triphosphate, 5-iodo-2'-deoxyuridinetriphosphate
| Molecular Formula | C9H14IN2O14P3 |
|---|---|
| Molecular Weight | 593.87 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 239.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 593.87024 |
| Heavy Atoms | 29 |
| Complexity | 857.0 |
Chemical Identifiers
| CAS Number | 3731-55-3 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
| InChIKey | ZWDWDTXYXXJLJB-RRKCRQDMSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Deoxy-5-iodouridine 5'-(tetrahydrogen triphosphate) (CAS 3731-55-3), with molecular formula C9H14IN2O14P3 and molecular weight 593.87 g/mol. IUPAC: [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of 2'-Deoxy-5-iodouridine 5'-(tetrahydrogen triphosphate)
Property Insights of 2'-Deoxy-5-iodouridine 5'-(tetrahydrogen triphosphate)
The XLogP value of -4.8 indicates that 2'-Deoxy-5-iodouridine 5'-(tetrahydrogen triphosphate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 239.0 Ų indicates high polarity, suggesting 2'-Deoxy-5-iodouridine 5'-(tetrahydrogen triphosphate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-Deoxy-5-iodouridine 5'-(tetrahydrogen triphosphate) has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2'-Deoxy-5-iodouridine 5'-(tetrahydrogen triphosphate)?
The CAS number of 2'-Deoxy-5-iodouridine 5'-(tetrahydrogen triphosphate) is 3731-55-3.
What is the molecular formula of 2'-Deoxy-5-iodouridine 5'-(tetrahydrogen triphosphate)?
The molecular formula of 2'-Deoxy-5-iodouridine 5'-(tetrahydrogen triphosphate) is C9H14IN2O14P3.
What is the molecular weight of 2'-Deoxy-5-iodouridine 5'-(tetrahydrogen triphosphate)?
The molecular weight of 2'-Deoxy-5-iodouridine 5'-(tetrahydrogen triphosphate) is 593.87 g/mol.
Where can I buy 2'-Deoxy-5-iodouridine 5'-(tetrahydrogen triphosphate)?
You can request a quote for 2'-Deoxy-5-iodouridine 5'-(tetrahydrogen triphosphate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Deoxy-5-iodouridine 5'-(tetrahydrogen triphosphate)?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxy-5-iodouridine 5'-(tetrahydrogen triphosphate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.