Microcystin LF

Base Information

• Chemical Name: Microcystin LF
• CAS No.: 154037-70-4
• Molecular Formula: C₅₂H₇₁N₇O₁₂
• Molecular Weight: 986.175
• European Community (EC) Number: 621-430-0
• DSSTox Substance ID: DTXSID00891475
• Metabolomics Workbench ID: 160162
• Wikidata: Q82003388
• Mol file: 154037-70-4.mol

Synonyms:microcystin-LF

Chemical Property of Microcystin LF

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1276.7°Cat760mmHg
• PKA: 3.03±0.70(Predicted)
• Flash Point: 725.9°C
• PSA: 299.68000
• Density: 1.25g/cm³
• LogP: 4.40080
• Storage Temp.: −20°C
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 13
• Exact Mass: 985.51607073
• Heavy Atom Count: 71
• Complexity: 1960

Purity/Quality:

99% ^*data from raw suppliers

Microcystin-LF solution 5-8μg/mL in methanol, analytical standard ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,T
• Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 7-16-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CC2=CC=CC=C2)C=CC(=CC(C)C(CC3=CC=CC=C3)OC)C
• Isomeric SMILES: C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CC2=CC=CC=C2)/C=C/C(=C/[C@H](C)[C@H](CC3=CC=CC=C3)OC)/C

Technology Process of Microcystin LF

There total 2 articles about Microcystin LF 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: 19.0%

C58H77N7O12Se → C52H71N7O12 (154037-70-4)

Guidance literature:

With dihydrogen peroxide; In water; acetonitrile; at 20 ℃; for 1h;

DOI:10.1021/acs.joc.7b00175

Reference yield:

C64H78F5N7O13Se → C52H71N7O12 (154037-70-4)

Guidance literature:

Multi-step reaction with 2 steps

1: chloroform; aq. phosphate buffer / 0.5 h / pH 9.5

2: dihydrogen peroxide / acetonitrile; water / 1 h / 20 °C

With dihydrogen peroxide; In aq. phosphate buffer; chloroform; water; acetonitrile;

DOI:10.1021/acs.joc.7b00175

Reference yield:

cyclo(D-Ala-L-Leu-D-MeAsp-L-Phe-Adda-D-Glu-Mdha) (154037-70-4) → C55H76N8O12

Guidance literature:

Multi-step reaction with 2 steps

1: potassium hydroxide / water; methanol / 1 h / 40 °C

2: potassium hydroxide / methanol / 1 h / 60 °C

With potassium hydroxide; In methanol; water;

DOI:10.1002/chem.201601660

Refernces