| CAS Number | 1337482-15-1 |
| Catalog Number | AG009JMQ(AGN-PC-0WP0HO) |
| Chemical Name | Sofosbuvir IMpurity C 1337482-15-1 |
| IUPAC Name | propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-phenoxyphosphoryl]amino]propanoate |
| InChI | InChI=1S/C22H29FN3O9P/c1-13(2)32-19(29)14(3)25-36(31,34-15-8-6-5-7-9-15)35-18-16(12-27)33-20(22(18,4)23)26-11-10-17(28)24-21(26)30/h5-11,13-14,16,18,20,27H,12H2,1-4H3,(H,25,31)(H,24,28,30)/t14-,16+,18+,20+,22+,36?/m0/s1 |
| InChI Key | IBMLPFZASPUMOW-IAAJYNJHSA-N |
| MDL Number | MFCD31560495 |
| Molecular Formula | C22H29FN3O9P |
| Molecular Weight | 529.4525 |
| SMILES | [P@@](O[C@@H]1[C@@H](CO)O[C@@H](N2C=CC(=O)NC2=O)[C@]1(C)F)(N[C@@H](C)C(OC(C)C)=O)(OC1=CC=CC=C1)=O |
| Synonyms | SCHEMBL12214078,
1337482-15-1,
Isopropyl ((s)-(((2r,3r,4r,5r)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-4-fluoro-2-(hydroxymethyl)-4-methyltetrahydrofuran-3-yl)oxy)(phenoxy)phosphoryl)-l-alaninate,
|
| Complexity | 913 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 529.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 529.458g/mol |
| Monoisotopic Mass | 529.163g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 153A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number