N-Acetyl O-Benzoyl 5-Epi Emtricitabine

Base Information

• Chemical Name: N-Acetyl O-Benzoyl 5-Epi Emtricitabine
• CAS No.: 150796-39-7
• Molecular Formula: C17H16FN3O5S
• Molecular Weight: 393.4

Synonyms:N-Acetyl O-Benzoyl 5-Epi Emtricitabine;150796-39-7;Rel-((2R,5R)-5-(4-acetamido-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl)methyl benzoate

Chemical Property of N-Acetyl O-Benzoyl 5-Epi Emtricitabine

Chemical Property:

• Solubility.: Chloroform, DCM, DMSO, Ethyl Acetate
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 393.07946996
• Heavy Atom Count: 27
• Complexity: 678

Purity/Quality:

95% ^*data from raw suppliers

4’-epi-Emtricitabine4-Acetamide5’-O-Benzoyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1=NC(=O)N(C=C1F)C2CSC(O2)COC(=O)C3=CC=CC=C3
• Isomeric SMILES: CC(=O)NC1=NC(=O)N(C=C1F)[C@H]2CS[C@@H](O2)COC(=O)C3=CC=CC=C3
• Uses: 4’-epi-Emtricitabine 4-Acetamide 5’-O-Benzoyl is an protected intermediate in the synthesis of ent-Emtricitabine (E525005), a reverse transcriptase inhibitor that is effective antiviral agent against HIV, HBV, and other viruses replicating in a similar manner.

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