5'-r(Uridylyl-uridylyl cytidine)
[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]oxy-hydroxyphosphoryl] 2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Also Known As: UPUPC|5'-r(Upupc)|Uridylyl-uridylyl-cytidine|5'-r(Uridylyl-uridylyl cytidine)|KST-1A3912|Uridine, cytidylyl-(5'-3')-uridylyl-(5'-3')-|[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]oxy-hydroxyphosphoryl] 2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate|[[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-hydroxy-phosphoryl] 2-[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]ethyl[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
| Molecular Formula | C27H35N7O21P2 |
|---|---|
| Molecular Weight | 855.1361 g/mol |
| LogP | -8.6 |
| Topological Polar Surface Area | 398.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 14 |
| Exact Mass | 855.1361 |
| Monoisotopic Mass | 855.1361 |
| Heavy Atoms | 57 |
| Complexity | 1870.0 |
Chemical Identifiers
| CAS Number | 33544-18-2 |
|---|---|
| SMILES | C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)OP(=O)(O)OP(=O)(OCC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=CC(=O)NC6=O)O)O)O)O |
| InChIKey | LERUHTCUXOYYLC-FUIDQBBJSA-N |
Product Overview
5'-r(Uridylyl-uridylyl cytidine) (CAS 33544-18-2), with molecular formula C27H35N7O21P2 and molecular weight 855.1361 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]oxy-hydroxyphosphoryl] 2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate.