Inarigivir
1-[(2R,3R,4R,5R)-4-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
Molecular Identity
Inarigivir
1-[(2R,3R,4R,5R)-4-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID: 6912016
2D Structure
Properties
C20H26N7O10PS
Molecular Formula
587.50
Molecular Weight
g/mol
587.1199
Exact Mass
Da
-1.8
XLogP
Drug-like (Lipinski: < 5)
258
TPSA
May have limited oral absorption
5
H-Bond Donors
15
H-Bond Acceptors
1010
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Inarigivir475650-36-3SB-40TQ0A9FIV71UNII-TQ0A9FIV711-[(2R,3R,4R,5R)-4-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione2'-O-Methyl-p-thiouridylyl-(3'->5')-2'-deoxyadenosineAdenosine, 2'-O-methyl-p-thiouridylyl-(3'->5')-2'-deoxy-1-((2R,3R,4R,5R)-4-(((2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl)methoxy-hydroxyphosphinothioyl)oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl)pyrimidine-2,4-dioneRefChem:148060ORI-9020O-(((2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl)methyl) O-((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-(hydroxymethyl)-4-methoxytetrahydrofuran-3-yl) S-hydrogen phosphorothioate2'-O-Methyl-P-thiouridylyl-(3'-->5')-2'-deoxyadenosine2'-O-Methyl-P-thiouridylyl-(3'?5')-2'-deoxyadenosineorb1685502
Data from PubChem (NCBI)
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