acelarin
benzyl (2S)-2-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Molecular Identity
acelarin
benzyl (2S)-2-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
PubChem CID: 11169170
2D Structure
Properties
C25H27F2N4O8P
Molecular Formula
580.50
Molecular Weight
g/mol
580.1535
Exact Mass
Da
1.4
XLogP
Drug-like (Lipinski: < 5)
162
TPSA
May have limited oral absorption
3
H-Bond Donors
11
H-Bond Acceptors
1020
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
acelarin840506-29-8NUC-1031RefChem:202440benzyl (2S)-2-(((((2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl)methoxy)(phenoxy)phosphoryl)amino)propanoatebenzyl (2S)-2-(((((2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl)methoxy)(phenoxy)phosphoryl)amino)propanoateFosgemcitabine palabenamide, p(rs)-Acelarin (NUC-1031)XCL1K2T28KCPF-31benzyl (2S)-2-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate(2S)-Benzyl 2-(((((2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4,4-difluoro-3-hydroxytetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)amino)propanoateL-Alanine, N-(2'-deoxy-2',2'-difluoro-p-phenyl-5'-cytidylyl)-, phenylmethyl esterBenzyl (2S)-2-((((2R,3R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4,4-difluoro-3-hydroxy-tetrahydrofuran-2-yl)methoxy-phenoxy-phosphoryl)amino)propanoateOsgemcitabine palabenamide
Data from PubChem (NCBI)
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