2'-Deoxyribavirin triphosphate
TL;DR: 2'-Deoxyribavirin triphosphate (CAS 532935-49-2) is a chemical compound with molecular formula C8H15N4O13P3 and molecular weight 467.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: 2'-Deoxyribavirin triphosphate, J1.912.116J, ({[({[(2R,3S,5R)-5-(3-carbamoyl-1H-1,2,4-triazol-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid, [[(2R,3S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, 1-(2-Deoxy-5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-erythro-pentofuranosyl)-1H-1,2,4-triazole-3-carboxamide
| Molecular Formula | C8H15N4O13P3 |
|---|---|
| Molecular Weight | 467.98 g/mol |
| LogP | -5.3 |
| Topological Polar Surface Area | 263.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 467.98483 |
| Heavy Atoms | 28 |
| Complexity | 731.0 |
Chemical Identifiers
| CAS Number | 532935-49-2 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=NC(=N2)C(=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O |
| InChIKey | FKUHJIXCXJPSTE-KVQBGUIXSA-N |
Product Overview
2'-Deoxyribavirin triphosphate (CAS 532935-49-2), with molecular formula C8H15N4O13P3 and molecular weight 467.98 g/mol. IUPAC: [[(2R,3S,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of 2'-Deoxyribavirin triphosphate
Property Insights of 2'-Deoxyribavirin triphosphate
The XLogP value of -5.3 indicates that 2'-Deoxyribavirin triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 263.0 Ų indicates high polarity, suggesting 2'-Deoxyribavirin triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-Deoxyribavirin triphosphate has 6 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2'-Deoxyribavirin triphosphate?
The CAS number of 2'-Deoxyribavirin triphosphate is 532935-49-2.
What is the molecular formula of 2'-Deoxyribavirin triphosphate?
The molecular formula of 2'-Deoxyribavirin triphosphate is C8H15N4O13P3.
What is the molecular weight of 2'-Deoxyribavirin triphosphate?
The molecular weight of 2'-Deoxyribavirin triphosphate is 467.98 g/mol.
Where can I buy 2'-Deoxyribavirin triphosphate?
You can request a quote for 2'-Deoxyribavirin triphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Deoxyribavirin triphosphate?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxyribavirin triphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.