≥98%, 10 mM solution in water for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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.
| Canonical Smiles | CSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])[O-])O)O)N.[Na+].[Na+].[Na+] |
|---|---|
| IUPAC Name | trisodium;[[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate |
| InChIKey | DYNGCIHMNWOBSU-MSQVLRTGSA-K |
| INCHI | 1S/C11H17N5O10P2S.3Na/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21;;;/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21);;;/q;3*+1/p-3/t4-,6-,7-,10-;;;/m1.../s1 |
| Isomeric SMILES | CSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])[O-])O)O)N.[Na+].[Na+].[Na+] |
| PubChem CID | 52942441 |
| Molecular Weight | 539.24 |
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 |
| Class | Purine nucleotides |
| Subclass | Purine ribonucleotides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Purine ribonucleoside diphosphates |
| Alternative Parents | Purine ribonucleoside monophosphates Pentose phosphates Glycosylamines 6-aminopurines Organic pyrophosphates Monosaccharide phosphates Alkylarylthioethers Aminopyrimidines and derivatives Alkyl phosphates N-substituted imidazoles Imidolactams Oxolanes Heteroaromatic compounds 1,2-diols Secondary alcohols Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organic sodium salts Organic zwitterions Primary amines Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purine ribonucleoside diphosphate - Purine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Monosaccharide phosphate - Organic pyrophosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Aryl thioether - Aminopyrimidine - Alkylarylthioether - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Imidolactam - Pyrimidine - Alkyl phosphate - Azole - Oxolane - Imidazole - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Sulfenyl compound - Thioether - Organoheterocyclic compound - Organic alkali metal salt - Oxacycle - Azacycle - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organic zwitterion - Organic sodium salt - Amine - Primary amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety. |
| External Descriptors | Not available |
| Solubility | PBS (pH 7.2): 10 mg/ml；Water: soluble |
|---|---|
| Molecular Weight | 539.240 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 6 |
| Exact Mass | 538.963 Da |
| Monoisotopic Mass | 538.963 Da |
| Topological Polar Surface Area | 266.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 669.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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 | 4 |
