(2R,3R,4R,5S)-5-(4-benzamido-2-oxopyrimidin-1(2H)-yl)-2-((benzoyloxy)methyl)-4-fluoro-4-methyltetrahydrofuran-3-yl benzoate

Base Information

• Chemical Name: (2R,3R,4R,5S)-5-(4-benzamido-2-oxopyrimidin-1(2H)-yl)-2-((benzoyloxy)methyl)-4-fluoro-4-methyltetrahydrofuran-3-yl benzoate
• CAS No.: 874638-94-5
• Molecular Formula: C31H26FN3O7
• Molecular Weight: 571.6
• Mol file: 874638-94-5.mol

Synonyms:874638-94-5;(2R,3R,4R,5S)-5-(4-benzamido-2-oxopyrimidin-1(2H)-yl)-2-((benzoyloxy)methyl)-4-fluoro-4-methyltetrahydrofuran-3-yl benzoate;(2R,3R,4R,5S)-5-(4-benzamido-2-oxopyrimidin-1(2H)-yl)-2-(benzoyloxymethyl)-4-fluoro-4-methyltetrahydrofuran-3-yl benzoate;[(2R,3R,4R,5S)-5-(4-benzamido-2-oxopyrimidin-1-yl)-3-benzoyloxy-4-fluoro-4-methyloxolan-2-yl]methyl benzoate;SCHEMBL14172900;BCP14022;CS-M2820;MFCD27918668;AKOS027255140;CS-14809;I11632;(2R,3R,4R,5S)-5-(4-benzamido-2-oxopyrimidin-1(2H)-yl)-2-((benzoyloxy)methyl)-4-fluoro-4-methyltetrahydrofuran-3-ylbenzoate

Chemical Property of (2R,3R,4R,5S)-5-(4-benzamido-2-oxopyrimidin-1(2H)-yl)-2-((benzoyloxy)methyl)-4-fluoro-4-methyltetrahydrofuran-3-yl benzoate

Chemical Property:

• PKA: 8.51±0.20(Predicted)
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 571.17547834
• Heavy Atom Count: 42
• Complexity: 1080

Purity/Quality:

99% ^*data from raw suppliers

2’-epi-SofosbuvirDesphosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(C(OC1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)F
• Isomeric SMILES: C[C@]1([C@@H]([C@H](O[C@@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)F
• Uses: 2’-epi-Sofosbuvir Desphosphate is possible metabolite of Sofosbuvir (P839640) which is a prodrug that is metabolized to the active antiviral agent 2''-deoxy-2''-α-fluoro-β-C-methyluridine-5''-monophosphate and is currently being investigated in phase 3 clinical trials for the treatment of hepatitis C.