| CAS Number | 1394157-34-6 |
| Catalog Number | AG01EOSQ(AGN-PC-3H46IL) |
| Chemical Name | Sofosbuvir impurity N |
| IUPAC Name | methyl 2-[[[(4R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate |
| InChI | InChI=1S/C20H25FN3O9P/c1-12(17(27)30-3)23-34(29,33-13-7-5-4-6-8-13)31-11-14-16(26)20(2,21)18(32-14)24-10-9-15(25)22-19(24)28/h4-10,12,14,16,18,26H,11H2,1-3H3,(H,23,29)(H,22,25,28)/t12?,14?,16?,18?,20-,34+/m1/s1 |
| InChI Key | SASYBZIIPQSWBV-DRHBXGFNSA-N |
| MDL Number | MFCD28386721 |
| Molecular Formula | C20H25FN3O9P |
| Molecular Weight | 501.3994 |
| SMILES | [P@@](OC[C@H]1O[C@@H](N2C(=O)NC(=O)C=C2)[C@@](C)([C@@H]1O)F)(N[C@@H](C)C(OC)=O)(OC1=CC=CC=C1)=O |
| Synonyms | Sofosbuvir impurity N,
1394157-34-6,
|
| Complexity | 868 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 501.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 501.404g/mol |
| Monoisotopic Mass | 501.131g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 153A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number