2'-Deoxy-2'-fluorouridilyl(3'-5')adenosine
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
Also Known As: Sid 768860|KST-1A6919|2'-Deoxy-2'-fluorouridilyl(3'-5')adenosine|Adenosine, 2'-deoxy-2'-fluorouridylyl-(3'-5'-)-|[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl(2r,3r,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen phosphate(non-preferred name)|[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
| Molecular Formula | C19H23FN7O11P |
|---|---|
| Molecular Weight | 575.11774 g/mol |
| LogP | -4.4 |
| Topological Polar Surface Area | 254.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 575.11774 |
| Monoisotopic Mass | 575.11774 |
| Heavy Atoms | 39 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 6340-71-2 |
|---|---|
| SMILES | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)F |
| InChIKey | VCOLJADLJLQBQU-YRHMQFFASA-N |
Product Overview
2'-Deoxy-2'-fluorouridilyl(3'-5')adenosine (CAS 6340-71-2), with molecular formula C19H23FN7O11P and molecular weight 575.11774 g/mol. IUPAC: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate.