Molecules/Isopropyl ((((2S,3S,4R,5R)-5-(2-amino-6-ethoxy-9H-purin-9-yl)-2,4-difluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate
Isopropyl ((((2S,3S,4R,5R)-5-(2-amino-6-ethoxy-9H-purin-9-yl)-2,4-difluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate
propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Molecular Identity
Isopropyl ((((2S,3S,4R,5R)-5-(2-amino-6-ethoxy-9H-purin-9-yl)-2,4-difluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate
propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
PubChem CID: 90248010
2D Structure
Properties
C25H33F2N6O8P
Molecular Formula
614.50
Molecular Weight
g/mol
614.2066
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
182
TPSA
May have limited oral absorption
3
H-Bond Donors
15
H-Bond Acceptors
985
Complexity
SMILES
Canonical SMILES
SMILES: CCOC1=NC(=NC2=C1N=CN2C3C(C(C(O3)(COP(=O)(NC(C)C(=O)OC(C)C)OC4=CC=CC=C4)F)O)(C)F)NIsomeric SMILES
SMILES: CCOC1=NC(=NC2=C1N=CN2[C@H]3[C@]([C@@H]([C@](O3)(COP(=O)(N[C@@H](C)C(=O)OC(C)C)OC4=CC=CC=C4)F)O)(C)F)NSynonyms(14)
AL-6111613591-70-02481279-61-0orb1691584CHEMBL4647713SCHEMBL15833179AKOS040756926AL-611?DA-50301HY-145374CS-0371882T39082Isopropyl ((((2S,3S,4R,5R)-5-(2-amino-6-ethoxy-9H-purin-9-yl)-2,4-difluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninatepropan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Data from PubChem (NCBI)
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Molecular Structure
Isopropyl ((((2S,3S,4R,5R)-5-(2-amino-6-ethoxy-9H-purin-9-yl)-2,4-difluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate
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Drug Network
Trials and conditions connected to Isopropyl ((((2S,3S,4R,5R)-5-(2-amino-6-ethoxy-9H-purin-9-yl)-2,4-difluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate
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