Determine the necessary mass, volume, or concentration for preparing a solution.
≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
This product has a concentration of 100mM in water and is stored at -80 ℃. Store in dry conditions. This product can be stored for up to 12 months.
| Sonrisas canónicas | C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+].[Na+] |
|---|---|
| IUPAC Name | trisodium;[[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate |
| InChIKey | WBIPTAOOMJEGQO-MILVPLDLSA-K |
| INCHI | 1S/C9H16N3O13P3.3Na/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17;;;/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17);;;/q;3*+1/p-3/t5-,6+,8+;;;/m0.../s1 |
| Isómeros SMILES | C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+].[Na+] |
| CAS alternativo | 2056-98-6 |
| PubChem CID | 53486366 |
| Peso molecular | 533.10 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Nucleosides, nucleotides, and analogues |
| Clase | Pyrimidine nucleotides |
| Subclass | Pyrimidine deoxyribonucleotides |
| Intermediate Tree Nodes | Pyrimidine deoxyribonucleoside triphosphates |
| Direct Parent | Pyrimidine 2'-deoxyribonucleoside triphosphates |
| Alternative Parents | Pyrimidones Aminopyrimidines and derivatives Imidolactams Hydropyrimidines Alkyl phosphates Oxolanes Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary amines Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidine 2'-deoxyribonucleoside triphosphate - Aminopyrimidine - Pyrimidone - Hydropyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Imidolactam - Alkyl phosphate - Oxolane - Heteroaromatic compound - Secondary alcohol - Oxacycle - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic nitrogen compound - Amine - Primary amine - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic sodium salt - Organic salt - Organic zwitterion - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside triphosphates. These are pyrimidine nucleotides with a triphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. |
| External Descriptors | Not available |
| Solubilidad | Supplied in water (100 mM) |
|---|---|
| Peso molecular | 533.100 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 8 |
| Exact Mass | 532.935 Da |
| Monoisotopic Mass | 532.935 Da |
| Topological Polar Surface Area | 256.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 805.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |