Determine the necessary mass, volume, or concentration for preparing a solution.
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10mM in Water 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | [Na+].[Na+].[Na+].O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)N2C=CC(=O)NC2=O |
|---|---|
| IUPAC Name | trisodium;[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate |
| InChIKey | MMJGIWFJVDOPJF-LLWADOMFSA-K |
| INCHI | 1S/C9H15N2O15P3.3Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18);;;/q;3*+1/p-3/t4-,6-,7-,8-;;;/m1.../s1 |
| Isomeric 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)[O-])O)O.[Na+].[Na+].[Na+] |
| WGK Germany | 3 |
| Alternate CAS | 63-39-8 |
| Molecular Weight | 550.09 (anhydrous basis) |
| Beilstein | 3585234 |
| Reaxy-Rn | 5373891 |
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 | Pyrimidine nucleotides |
| Subclass | Pyrimidine ribonucleotides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidine ribonucleoside triphosphates |
| Alternative Parents | Pentose phosphates Glycosylamines Monosaccharide phosphates Pyrimidones Alkyl phosphates Hydropyrimidines Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Ureas Secondary alcohols 1,2-diols Lactams Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidine ribonucleoside triphosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Pyrimidone - Hydropyrimidine - Monosaccharide - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Tetrahydrofuran - Vinylogous amide - Heteroaromatic compound - Urea - Secondary alcohol - 1,2-diol - Lactam - Organic alkali metal salt - Organoheterocyclic compound - Azacycle - Oxacycle - Organonitrogen compound - Alcohol - Organopnictogen compound - Organic sodium salt - Organic oxygen compound - Organic salt - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidine ribonucleoside triphosphates. These are pyrimidine ribobucleotides with triphosphate group linked to the ribose moiety. |
| External Descriptors | Not available |
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| Sensitivity | Moisture & Light sensitive |
|---|---|
| Melt Point(°C) | >140°C |
| Molecular Weight | 550.090 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 8 |
| Exact Mass | 549.914 Da |
| Monoisotopic Mass | 549.914 Da |
| Topological Polar Surface Area | 267.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 820.000 |
| 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 |
| 1. Ying Ding, Qingyan Jia, Yongmei Wen, Weimin Liu, Jiechao Ge, Jiasheng Wu, Hongyan Zhang, Pengfei Wang. (2018) New detection method for nucleoside triphosphates based on carbon dots: The distance-dependent singlet oxygen trapping. ANALYTICA CHIMICA ACTA, [PMID:30119732] [10.1016/j.aca.2018.05.024] |
| 2. Qinqin Sun, Fei Yan, Bin Su. (2018) Label-free electrochemical biosensors based on 3,3′,5,5′-tetramethylbenzidine responsive isoporous silica-micelle membrane. BIOSENSORS & BIOELECTRONICS, [PMID:29412936] [10.1016/j.bios.2018.01.026] |