| CAS Number | 1334513-10-8 |
| Catalog Number | AG009IFF(AGN-PC-0WNR01) |
| Chemical Name | Sofosbuvir impurity J |
| IUPAC Name | propan-2-yl 2-[[[(4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate |
| InChI | InChI=1S/C22H30FN4O8P/c1-13(2)33-19(29)14(3)26-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)27-11-10-17(24)25-21(27)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,26,31)(H2,24,25,30)/t14?,16?,18?,20?,22-,36+/m1/s1 |
| InChI Key | JMTNHBQFZOWQKE-IECBXEDQSA-N |
| MDL Number | MFCD28387295 |
| Molecular Formula | C22H30FN4O8P |
| Molecular Weight | 528.4678 |
| SMILES | [C@@H]1(N2C(=O)N=C(N)C=C2)O[C@@H]([C@@H](O)[C@@]1(C)F)CO[P@@](N[C@@H](C)C(OC(C)C)=O)(OC1=CC=CC=C1)=O |
| Synonyms | Sofosbuvir impurity J,
1334513-10-8,
|
| Complexity | 928 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 528.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 528.474g/mol |
| Monoisotopic Mass | 528.179g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 162A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number