| CAS Number | 2095551-10-1 |
| Catalog Number | AG01EOSS(AGN-PC-3H46J0) |
| Chemical Name | Sofosbuvir impurity M |
| IUPAC Name | propan-2-yl 2-[[[(4S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate |
| InChI | InChI=1S/C22H30N3O10P/c1-13(2)33-19(28)14(3)24-36(31,35-15-8-6-5-7-9-15)32-12-16-18(27)22(4,30)20(34-16)25-11-10-17(26)23-21(25)29/h5-11,13-14,16,18,20,27,30H,12H2,1-4H3,(H,24,31)(H,23,26,29)/t14?,16?,18?,20?,22-,36-/m0/s1 |
| InChI Key | WAKQLZVLNOKKHE-KLBZJQQLSA-N |
| MDL Number | MFCD28387167 |
| Molecular Formula | C22H30N3O10P |
| Molecular Weight | 527.4615 |
| SMILES | [P@@](OC[C@H]1O[C@@H](N2C(=O)NC(=O)C=C2)[C@](C)([C@@H]1O)O)(N[C@@H](C)C(OC(C)C)=O)(OC1=CC=CC=C1)=O |
| Synonyms | Sofosbuvir impurity M,
2095551-10-1,
|
| Complexity | 909 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 527.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 527.467g/mol |
| Monoisotopic Mass | 527.167g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 173A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number