Aflatoxin Q1

Base Information

• Chemical Name: Aflatoxin Q1
• CAS No.: 52819-96-2
• Molecular Formula: C₁₇H₁₂O₇
• Molecular Weight: 328.278
• European Community (EC) Number: 637-071-8
• DSSTox Substance ID: DTXSID60967286
• Nikkaji Number: J4.520I
• Wikidata: Q26998366
• Mol file: 52819-96-2.mol

Synonyms:aflatoxin Q1

Chemical Property of Aflatoxin Q1

Chemical Property:

• Vapor Pressure: 1.02E-14mmHg at 25°C
• Boiling Point: 589°Cat760mmHg
• Flash Point: 224.5°C
• PSA: 95.20000
• Density: 1.66g/cm³
• LogP: 1.76740
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 328.05830272
• Heavy Atom Count: 24
• Complexity: 680

Purity/Quality:

99.90% ^*data from raw suppliers

AflatoxinQ1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C2C3=C(C(=O)CC3O)C(=O)OC2=C4C5C=COC5OC4=C1
• Isomeric SMILES: COC1=C2C3=C(C(=O)C[C@@H]3O)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1
• Uses: A metabolite of Aflatoxin B1; a hepatocarcinogen in many animal models and probably a human carcinogen. It is produced by the predominant forms of cytochrome P 450 enzymes responsible for the biotransformation of AFB1. It shows potential predictive value as a marker for exposure and risk of dietary aflatoxins.

Technology Process of Aflatoxin Q1

There total 1 articles about Aflatoxin Q1 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:

→ Aflatoxin Q(1) (52819-96-2,55058-52-1,56648-94-3)

Guidance literature:

Aflatoxin B(1), verschied. Oxidationsmitteln;

DOI:10.1021/jo00911a040

Refernces