AC1LA4SQ
5-ethyl-1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: 2'-deoxy-5-ethyl-4'-ethynyluridine|2'-Deoxy-5-ethyl-4'-C-ethynyluridine|uridine, 2'-deoxy-5-ethyl-4'-C-ethynyl-|J1.445.853K|1-(2-Deoxy-4-C-ethynyl-beta-D-ribo-pentofuranosyl)-5-ethyluracil|1-(4-C-Ethynyl-2-deoxy-beta-D-ribo-pentofuranosyl)-5-ethyluracil|5-ethyl-1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione|5-ethyl-1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione|5-ethyl-1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
| Molecular Formula | C13H16N2O5 |
|---|---|
| Molecular Weight | 280.10593 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.10593 |
| Monoisotopic Mass | 280.10593 |
| Heavy Atoms | 20 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 311348-89-7 |
|---|---|
| SMILES | CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@](O2)(CO)C#C)O |
| InChIKey | SUWJEPAQXSCUHY-OPQQBVKSSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1LA4SQ (CAS 311348-89-7), with molecular formula C13H16N2O5 and molecular weight 280.10593 g/mol. IUPAC: 5-ethyl-1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
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