| Sonrisas canónicas | C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F |
|---|---|
| IUPAC Name | [[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate |
| InChIKey | AREUQFTVCMGENT-UAKXSSHOSA-N |
| INCHI | 1S/C9H14FN2O15P3/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(25-8)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h1,4-6,8,13-14H,2H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1 |
| Isómeros SMILES | C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F |
| PubChem CID | 10255482 |
| Peso molecular | 502.13 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Nucleosides, nucleotides, and analogues |
| Clase | Pyrimidine nucleotides |
| Subclass | Pyrimidine ribonucleotides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidine ribonucleoside triphosphates |
| Alternative Parents | Pentose phosphates Glycosylamines Monosaccharide phosphates Halopyrimidines Pyrimidones Monoalkyl phosphates Aryl fluorides Hydropyrimidines Vinylogous amides Heteroaromatic compounds Oxolanes Lactams 1,2-diols Secondary alcohols Ureas Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organofluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyrimidine ribonucleoside triphosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - Monosaccharide phosphate - Pentose monosaccharide - Halopyrimidine - Pyrimidone - Monoalkyl phosphate - Alkyl phosphate - Aryl fluoride - Aryl halide - Pyrimidine - Hydropyrimidine - Phosphoric acid ester - Monosaccharide - Organic phosphoric acid derivative - Vinylogous amide - Heteroaromatic compound - Oxolane - Urea - Secondary alcohol - 1,2-diol - Lactam - Oxacycle - Organoheterocyclic compound - Azacycle - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Descripción | 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 |
| Peso molecular | 502.130 g/mol |
|---|---|
| XLogP3 | -5.800 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 8 |
| Exact Mass | 501.959 Da |
| Monoisotopic Mass | 501.959 Da |
| Topological Polar Surface Area | 259.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 889.000 |
| 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 |
