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
Molecular Identity
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
PubChem CID: 118596336
2D Structure
Properties
C22H29FN3O10P
Molecular Formula
545.50
Molecular Weight
g/mol
545.1575
Exact Mass
Da
0.2
XLogP
Drug-like (Lipinski: < 5)
173
TPSA
May have limited oral absorption
4
H-Bond Donors
12
H-Bond Acceptors
961
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)OC(=O)C(C)NP(=O)(OCC1(C(C(C(O1)N2C=CC(=O)NC2=O)(C)O)O)F)OC3=CC=CC=C3Isomeric SMILES
SMILES: C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@]1([C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)O)O)F)OC3=CC=CC=C3Synonyms(20)
AdafosbuvirAL-3351613589-09-5JNJ-335S83770Y75RPropan-2-yl N-((P5'S)-4'-fluoro-2'-C-methyl-p-o-phenyl-5'-uridylyl)-L-alaninatepropan-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]propanoateadafosbuvirumpropan-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)propanoateRefChem:109632Adafosbuvir [INN]Adafosbuvir [USAN:INN]UNII-S83770Y75RAdafosbuvir (USAN)ADAFOSBUVIR [USAN]
Data from PubChem (NCBI)
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