Bemnifosbuvir
propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Molecular Identity
Bemnifosbuvir
propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
PubChem CID: 122527275
2D Structure
Properties
C24H33FN7O7P
Molecular Formula
581.50
Molecular Weight
g/mol
581.2163
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
185
TPSA
May have limited oral absorption
4
H-Bond Donors
14
H-Bond Acceptors
919
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=NC3=C(N=C(N=C32)N)NC)(C)F)O)OC4=CC=CC=C4Isomeric SMILES
SMILES: C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=NC3=C(N=C(N=C32)N)NC)(C)F)O)OC4=CC=CC=C4Synonyms(20)
bemnifosbuvir1998705-64-8AT-527 free base7UM3SQL968AT-511RefChem:116936AT511AT 511Bemnifosbuvir [USAN]Bemnifosbuvir (USAN)(S)-Isopropyl 2-((S)-(((2R,3R,4R,5R)-5-(2-amino-6-(methylamino)-9H-purin-9-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphorylamino)propanoateL-Alanine, N-((p(S),2'R)-2-amino-2'-deoxy-2'-fluoro-N,2'-dimethyl-p-phenyl-5'-adenylyl)-, 1-methylethyl esterN-((p(S),2'R)-2-Amino-2'-deoxy-2'-fluoro-N,2'-dimethyl-p-phenyl-5'-adenylyl)-L-alanine 1-methylethyl esterC24H33FN7O7PBemnifosbuvir [WHO-DD]
Data from PubChem (NCBI)
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