Penicillin F

Base Information

• Chemical Name: Penicillin F
• CAS No.: 118-53-6
• Molecular Formula: C₁₄H₂₀N₂O₄S
• Molecular Weight: 312.39
• UNII: 88EY1AP5UR
• DSSTox Substance ID: DTXSID90151994
• Nikkaji Number: J10.075G
• Wikidata: Q27155019
• Metabolomics Workbench ID: 143879
• Mol file: 118-53-6.mol

Synonyms:penicillin F;penicillin F, ammonia salt(2S-(2alpha,5alpha,6beta))-isomer

Chemical Property of Penicillin F

Chemical Property:

• Vapor Pressure: 6.99E-16mmHg at 25°C
• Boiling Point: 598.7°Cat760mmHg
• Flash Point: 315.9°C
• PSA: 115.50000
• Density: 1.33g/cm³
• LogP: 1.75260
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 312.11437830
• Heavy Atom Count: 21
• Complexity: 503

Purity/Quality:

98%,99%, ^*data from raw suppliers

PENICILLIN F 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CCC(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O
• Isomeric SMILES: CC/C=C/CC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O
• Uses: Penicillin F is used to model and predict antibacterial activity using Topological Molecular Computer Design (TOMOCOMD-CARDD).

Technology Process of Penicillin F

There total 1 articles about Penicillin F which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

hex-3-enoic acid (4219-24-3) + 6-β-aminopenicillanic acid sodium salt (1203-85-6) → Penicillin F (118-53-6)

Guidance literature:

With dicyclohexyl-carbodiimide; In tetrahydrofuran; water;

DOI:10.1021/jm50017a015

upstream raw materials:

hex-3-enoic acid

6-β-aminopenicillanic acid sodium salt

Refernces