Abacavir hydroxyacetate
[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl 2-hydroxyacetate
Molecular Identity
Abacavir hydroxyacetate
[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl 2-hydroxyacetate
PubChem CID: 71605071
2D Structure
Properties
C16H20N6O3
Molecular Formula
344.37
Molecular Weight
g/mol
344.1597
Exact Mass
Da
0.8
XLogP
Drug-like (Lipinski: < 5)
128
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
528
Complexity
SMILES
Canonical SMILES
SMILES: C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)C4CC(C=C4)COC(=O)COIsomeric SMILES
SMILES: C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)COC(=O)COSynonyms(20)
Abacavir hydroxyacetate1446418-48-9PrurisolB3C7MG354B((1S,4R)-4-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)cyclopent-2-en-1-yl)methyl 2-hydroxyacetateAcetic acid, 2-hydroxy-, ((1S,4R)-4-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl esterAcetic acid, 2-hydroxy-, [(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopenten-1-yl]methyl esterRefChem:108464acetic acid, 2-hydroxy-, ((1S,4R)-4-(2-amino-6-(cyclopropylamino)-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl esteAbacavir acetate[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl 2-hydroxyacetateAbacavirhydroxyacetateUNII-B3C7MG354Borb1708704CHEMBL4297418
Data from PubChem (NCBI)
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