2'-Deoxy-5-iodocytidine 5'-(tetrahydrogen triphosphate)
TL;DR: 2'-Deoxy-5-iodocytidine 5'-(tetrahydrogen triphosphate) (CAS 31747-59-8) is a chemical compound with molecular formula C9H15IN3O13P3 and molecular weight 592.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,5R)-5-(4-amino-5-iodo-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: IdCTP, 5-iodo-dCTP, 5I-dCTP, 5-iododeoxycytidine triphosphate, 5-Iodocytosine deoxyribonucleoside triphosphate
| Molecular Formula | C9H15IN3O13P3 |
|---|---|
| Molecular Weight | 592.89 g/mol |
| LogP | -4.8 |
| Topological Polar Surface Area | 248.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 592.8862 |
| Heavy Atoms | 29 |
| Complexity | 873.0 |
Chemical Identifiers
| CAS Number | 31747-59-8 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)I)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
| InChIKey | OOMLBPVHGFQCCL-RRKCRQDMSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-Deoxy-5-iodocytidine 5'-(tetrahydrogen triphosphate) (CAS 31747-59-8), with molecular formula C9H15IN3O13P3 and molecular weight 592.89 g/mol. IUPAC: [[(2R,3S,5R)-5-(4-amino-5-iodo-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of 2'-Deoxy-5-iodocytidine 5'-(tetrahydrogen triphosphate)
Property Insights of 2'-Deoxy-5-iodocytidine 5'-(tetrahydrogen triphosphate)
The XLogP value of -4.8 indicates that 2'-Deoxy-5-iodocytidine 5'-(tetrahydrogen triphosphate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 248.0 Ų indicates high polarity, suggesting 2'-Deoxy-5-iodocytidine 5'-(tetrahydrogen triphosphate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-Deoxy-5-iodocytidine 5'-(tetrahydrogen triphosphate) has 6 hydrogen bond donor(s) and 13 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-iodocytidine 5'-(tetrahydrogen triphosphate)?
The CAS number of 2'-Deoxy-5-iodocytidine 5'-(tetrahydrogen triphosphate) is 31747-59-8.
What is the molecular formula of 2'-Deoxy-5-iodocytidine 5'-(tetrahydrogen triphosphate)?
The molecular formula of 2'-Deoxy-5-iodocytidine 5'-(tetrahydrogen triphosphate) is C9H15IN3O13P3.
What is the molecular weight of 2'-Deoxy-5-iodocytidine 5'-(tetrahydrogen triphosphate)?
The molecular weight of 2'-Deoxy-5-iodocytidine 5'-(tetrahydrogen triphosphate) is 592.89 g/mol.
Where can I buy 2'-Deoxy-5-iodocytidine 5'-(tetrahydrogen triphosphate)?
You can request a quote for 2'-Deoxy-5-iodocytidine 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-iodocytidine 5'-(tetrahydrogen triphosphate)?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxy-5-iodocytidine 5'-(tetrahydrogen triphosphate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.