Uprifosbuvir
propan-2-yl (2R)-2-[[[(2R,3R,4R,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Molecular Identity
Uprifosbuvir
propan-2-yl (2R)-2-[[[(2R,3R,4R,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
PubChem CID: 90055716
2D Structure
Properties
C22H29ClN3O9P
Molecular Formula
545.90
Molecular Weight
g/mol
545.1330
Exact Mass
Da
1.2
XLogP
Drug-like (Lipinski: < 5)
153
TPSA
May have limited oral absorption
3
H-Bond Donors
10
H-Bond Acceptors
913
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)(C)Cl)O)OC3=CC=CC=C3Isomeric SMILES
SMILES: C[C@H](C(=O)OC(C)C)N[P@@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(C)Cl)O)OC3=CC=CC=C3Synonyms(20)
Uprifosbuvir1496551-77-9IDX21437JW31KPS26SMK-3682IDX-21437DTXSID401028124uprifosbuvirumRefChem:901143DTXCID201513696(R)-isopropyl 2-((R)-(((2R,3R,4R,5R)-4-chloro-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphorylamino)propanoateUridine, 2'-chloro-2'-deoxy-2'-methyl-5'-O-((R)-(((1R)-1-methyl-2-(1-methylethoxy)-2-oxoethyl)amino)phenoxyphosphinyl)-Uprifosbuvir [USAN]propan-2-yl (2R)-2-[[[(2R,3R,4R,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoateD-Alanine, N-[[P(R),2'R]-2'-chloro-2'-deoxy-2'-methyl-P-phenyl-5'-uridylyl]-, 1-methylethyl ester
Data from PubChem (NCBI)
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