5-ethynyl-1-beta-D-ribofuranosylimidazole-4-carboxamide triphosphate
TL;DR: 5-ethynyl-1-beta-D-ribofuranosylimidazole-4-carboxamide triphosphate (CAS 214827-88-0) is a chemical compound with molecular formula C11H16N3O14P3 and molecular weight 506.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-5-(4-carbamoyl-5-ethynylimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also Known As: 5-ethynyl-1-beta-D-ribofuranosylimidazole-4-carboxamide triphosphate, [[(2R,3S,4R,5R)-5-(4-carbamoyl-5-ethynylimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, 1H-imidazole-4-carboxamide, 5-ethynyl-1-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-beta-D-ribofuranosyl]-, 1H-Imidazole-4-carboxamide, 5-ethynyl-1-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-beta-D-ribofuranosyl]- (9CI), 5-Ethynyl-1-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-ribofuranosyl]-1H-imidazole-4-carboxamide
| Molecular Formula | C11H16N3O14P3 |
|---|---|
| Molecular Weight | 506.98 g/mol |
| LogP | -5.9 |
| Topological Polar Surface Area | 270.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 506.98453 |
| Heavy Atoms | 31 |
| Complexity | 885.0 |
Chemical Identifiers
| CAS Number | 214827-88-0 |
|---|---|
| SMILES | C#CC1=C(N=CN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C(=O)N |
| InChIKey | XPPBRTKXTWXNSM-PNHWDRBUSA-N |
Product Overview
5-ethynyl-1-beta-D-ribofuranosylimidazole-4-carboxamide triphosphate (CAS 214827-88-0), with molecular formula C11H16N3O14P3 and molecular weight 506.98 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(4-carbamoyl-5-ethynylimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
Chemical Property Profile of 5-ethynyl-1-beta-D-ribofuranosylimidazole-4-carboxamide triphosphate
Property Insights of 5-ethynyl-1-beta-D-ribofuranosylimidazole-4-carboxamide triphosphate
The XLogP value of -5.9 indicates that 5-ethynyl-1-beta-D-ribofuranosylimidazole-4-carboxamide triphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 270.0 Ų indicates high polarity, suggesting 5-ethynyl-1-beta-D-ribofuranosylimidazole-4-carboxamide triphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-ethynyl-1-beta-D-ribofuranosylimidazole-4-carboxamide triphosphate has 7 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 5-ethynyl-1-beta-D-ribofuranosylimidazole-4-carboxamide triphosphate?
The CAS number of 5-ethynyl-1-beta-D-ribofuranosylimidazole-4-carboxamide triphosphate is 214827-88-0.
What is the molecular formula of 5-ethynyl-1-beta-D-ribofuranosylimidazole-4-carboxamide triphosphate?
The molecular formula of 5-ethynyl-1-beta-D-ribofuranosylimidazole-4-carboxamide triphosphate is C11H16N3O14P3.
What is the molecular weight of 5-ethynyl-1-beta-D-ribofuranosylimidazole-4-carboxamide triphosphate?
The molecular weight of 5-ethynyl-1-beta-D-ribofuranosylimidazole-4-carboxamide triphosphate is 506.98 g/mol.
Where can I buy 5-ethynyl-1-beta-D-ribofuranosylimidazole-4-carboxamide triphosphate?
You can request a quote for 5-ethynyl-1-beta-D-ribofuranosylimidazole-4-carboxamide triphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-ethynyl-1-beta-D-ribofuranosylimidazole-4-carboxamide triphosphate?
Yes, KEHONG BIO provides custom synthesis services for 5-ethynyl-1-beta-D-ribofuranosylimidazole-4-carboxamide triphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.