methyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-[4-(trifluoromethoxy)phenoxy]phosphoryl]amino]propanoate
Basic information
- Standard SMILES
COC(=O)[C@H](C)NP(=O)(OC[C@@H]1C=C[C@H](n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(OC(F)(F)F)cc1- InChIKey
ZDJPOVRGJJAEJA-PRXFGPCXSA-N- Molecular formula
- C21H23F3N3O9P
- Average molar mass
- 549.4 g/mol
- Monoisotopic mass
- 549.1124008
Names & identifiers
- Preferred name
- methyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-[4-(trifluoromethoxy)phenoxy]phosphoryl]amino]propanoate
- IUPAC
- methyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-[4-(trifluoromethoxy)phenoxy]phosphoryl]amino]propanoate
Names & synonyms
DTXSID5010264022',3'-Didehydro-2',3'-dideoxythymidine-5'-[4-(trifluoromethoxy)phenyl methoxyalaninylphosphate]methyl (2S)-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-[4-(trifluoromethoxy)phenoxy]phosphoryl]amino]propanoateMethyl (2S)a2a[({[(2S,5R)a5a(5amethyla2,4adioxoa 1,2,3,4atetrahydropyrimidina1ayl)a2,5adihydrofurana2a yl]methoxy}[4a (trifluoromethoxy)phenoxy]phosphoryl)amino]propanoate
Database identifiers
- PubChem CID
- 5481508
- DTXSID
DTXSID501026402
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 982
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…