AC1LA4SZ
5-chloro-1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: 5-chloro-2'-deoxy-4'-ethynyluridine|Uridine,5-chloro-2'-deoxy-4'-C-ethynyl-|J1.445.856E|1-(2-Deoxy-4-C-ethynyl-beta-D-ribo-pentofuranosyl)-5-chlorouracil|1-(4-C-Ethynyl-2-deoxy-beta-D-ribo-pentofuranosyl)-5-chlorouracil|5-chloro-1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione|5-chloro-1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione|5-chloro-1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
| Molecular Formula | C11H11ClN2O5 |
|---|---|
| Molecular Weight | 286.03564 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.03564 |
| Monoisotopic Mass | 286.03564 |
| Heavy Atoms | 19 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 311348-95-5 |
|---|---|
| SMILES | C#C[C@]1([C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)Cl)O)CO |
| InChIKey | WNQRXEJSTSWURD-VAOFZXAKSA-N |
Product Overview
AC1LA4SZ (CAS 311348-95-5), with molecular formula C11H11ClN2O5 and molecular weight 286.03564 g/mol. IUPAC: 5-chloro-1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
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