Microcystin LW

Base Information

• Chemical Name: Microcystin LW
• CAS No.: 157622-02-1
• Molecular Formula: C54H72N8O12
• Molecular Weight: 1025.1959
• European Community (EC) Number: 622-373-4
• DSSTox Substance ID: DTXSID70891285
• Metabolomics Workbench ID: 161212
• Wikidata: Q81987491
• Mol file: 157622-02-1.mol

Synonyms:cyclo(3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoic acid-glutamyl-N-methyldehydroalanyl-alanyl-leucyl-beta-methylaspartyl-tryptophyl);cyclo(Adda-Glu-Mdha-Ala-Leu-Masp-trp);microcystin-LW

Chemical Property of Microcystin LW

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1336.1°Cat760mmHg
• Flash Point: 761.9°C
• PSA: 315.47000
• Density: 1.28g/cm³
• LogP: 4.88210
• Storage Temp.: ?20°C
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 13
• Exact Mass: 1024.52696976
• Heavy Atom Count: 74
• Complexity: 2090

Purity/Quality:

98%Min ^*data from raw suppliers

Microcystin-LW solution ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,T
• Statements: 11-23/24/25-39/23/24/25-43
• Safety Statements: 16-36/37-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

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=CNC3=CC=CC=C32)C=CC(=CC(C)C(CC4=CC=CC=C4)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=CNC3=CC=CC=C32)/C=C/C(=C/[C@H](C)[C@H](CC4=CC=CC=C4)OC)/C