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Basic Description
| Specifications & Purity | ≥98% |
|---|
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Nucleosides, nucleotides, and analogues
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Class
Pyrimidine nucleotides
- Subclass Pyrimidine ribonucleotides
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Class
Pyrimidine nucleotides
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Superclass
Nucleosides, nucleotides, and analogues
| Kingdom | Organic compounds |
|---|---|
| Superclass | Nucleosides, nucleotides, and analogues |
| Class | Pyrimidine nucleotides |
| Subclass | Pyrimidine ribonucleotides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidine ribonucleoside monophosphates |
| Alternative Parents | Pentose phosphates Glycosylamines Monosaccharide phosphates Monoalkyl phosphates Aminopyrimidines and derivatives Pyrimidones Imidolactams Hydropyrimidines Heteroaromatic compounds Tetrahydrofurans Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Aminopyrimidine - Pyrimidone - Monoalkyl phosphate - Hydropyrimidine - Monosaccharide - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Imidolactam - Tetrahydrofuran - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Oxacycle - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Amine - Alcohol - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidine ribonucleoside monophosphates. These are pyrimidine ribobucleotides with monophosphate group linked to the ribose moiety. |
| External Descriptors | Not available |
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Product Properties
| pKa | pKₐ: 1.86, pKₐ: 4.26 |
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Associated Targets(non-human)
Mus musculus (284745 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | [(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate |
|---|---|
| INCHI | InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7+,8-/m1/s1 |
| InChIKey | IERHLVCPSMICTF-CCXZUQQUSA-N |
| Smiles | C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O |
| Isomeric SMILES | C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O |
| WGK Germany | 3 |
| Molecular Weight | 323.2 |
| Reaxy-Rn | 14609599 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14609599&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Refractive Index | n20D1.77 (Predicted) |
|---|---|
| Boil Point(°C) | ~678.1° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 169-174° C |
| Molecular Weight | 323.200 g/mol |
| XLogP3 | -3.400 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 323.052 Da |
| Monoisotopic Mass | 323.052 Da |
| Topological Polar Surface Area | 175.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 531.000 |
| 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 | 1 |
Solution Calculators
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