Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
Diquafosol Tetrasodium Diquafosol Tetrasodium (INS-365), a P2Y2 receptor agonist, is a pharmaceutical drug for the treatment of dry eye disease.
Targets
P2Y2 receptor
| ALogP | -11.332 |
|---|---|
| hba_count | 11 |
| Recuento HBD | 6 |
| Enlace rotable | 14 |
| Pubchem Sid | 504757318 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757318 |
| Sonrisas canónicas | C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O.[Na+].[Na+].[Na+].[Na+] |
| IUPAC Name | tetrasodium;[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate |
| InChIKey | OWTGMPPCCUSXIP-FNXFGIETSA-J |
| INCHI | 1S/C18H26N4O23P4.4Na/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30;;;;/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30);;;;/q;4*+1/p-4/t7-,8-,11-,12-,13-,14-,15-,16-;;;;/m1..../s1 |
| Isómeros SMILES | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O)O.[Na+].[Na+].[Na+].[Na+] |
| CAS alternativo | 59985-21-6 |
| Peso molecular | 878.23 |
| Reaxy-Rn | 25912992 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25912992&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Nucleosides, nucleotides, and analogues |
| Clase | (5'->5')-dinucleotides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | (5'->5')-dinucleotides |
| Alternative Parents | Pyrimidine ribonucleoside polyphosphates Pentose phosphates Glycosylamines Monosaccharide phosphates Pyrimidones Alkyl phosphates Hydropyrimidines Heteroaromatic compounds Vinylogous amides Tetrahydrofurans Ureas Lactams Secondary alcohols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | (5'->5')-dinucleotide - Pyrimidine ribonucleoside polyphosphate - Pentose-5-phosphate - Pentose phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pyrimidone - Hydropyrimidine - Monosaccharide - Alkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Heteroaromatic compound - Tetrahydrofuran - Vinylogous amide - Lactam - Urea - Secondary alcohol - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Oxacycle - Organic sodium salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organopnictogen compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as (5'->5')-dinucleotides. These are dinucleotides where the two bases are connected via a (5'->5')-phosphodiester linkage. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Jun 09, 2025 | D413534 | |
| Certificate of Analysis | Jun 09, 2025 | D413534 | |
| Certificate of Analysis | Jun 09, 2025 | D413534 | |
| Certificate of Analysis | Jun 09, 2025 | D413534 |
| Solubilidad | Solubility (25°C) In vitro Water: 100 mg/mL (113.86 mM); DMSO: Insoluble; Ethanol: Insoluble; |
|---|---|
| Sensibilidad | light sensitive |
| Agua (mg/ml) Solubilidad máxima | 100 |
| Agua (mM) Solubilidad máxima | 113.865388337907 |
| Peso molecular | 878.200 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 23 |
| Rotatable Bond Count | 14 |
| Exact Mass | 877.922 Da |
| Monoisotopic Mass | 877.922 Da |
| Topological Polar Surface Area | 405.000 Ų |
| Heavy Atom Count | 53 |
| Formal Charge | 0 |
| Complexity | 1460.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 5 |