Account (S)-Isopropyl 2-(((S)-(((2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-fluoro-3,4-dihydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)amino)propanoate
- Catalog No. :
- ACSPCF364
- CAS No. :
- 1613589-09-5
- Molecular Formula :
- C22H29FN3O10P
- Molecular Weight :
- 545.46
IUPAC Name:isopropyl ((S)-(((2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-fluoro-3,4-dihydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate
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Product Information
| Product Name | (S)-Isopropyl 2-(((S)-(((2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-fluoro-3,4-dihydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)amino)propanoate |
|---|---|
| IUPAC Name | isopropyl ((S)-(((2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-fluoro-3,4-dihydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate |
| Molecular Formula | C22H29FN3O10P |
| Molecular Weight | 545.46 |
| SMILES | C[C@H](N[P@](OC[C@]1(F)[C@@H](O)[C@@](C)(O)[C@H](N2C=CC(NC2=O)=O)O1)(OC3=CC=CC=C3)=O)C(OC(C)C)=O |
| InChI Key | NIJYGVDQZBBONK-SEUXLIJBSA-N |
| Synonym | Adafosbuvir | propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate | UNII-S83770Y75R | AL-335 | SCHEMBL17359926 | Propan-2-yl N-((P5'S)-4'-fluoro-2'-C-methyl- |
| CAS No. | 1613589-09-5 |
| PubChem CID | 118596336 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACSPCF364 Molecular Building Block Synthetic Route
Sofosbuvir impurity M
Ethyl ((((2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate
(S)-Isopropyl 2-(((S)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-2-((((S)-(((S)-1-isopropoxy-1-oxopropan-2-yl)amino)(phenoxy)phosphoryl)oxy)methyl)-4-methyltetrahydrofuran-3-yl)oxy)(phenoxy)phosphoryl)amino)propanoate