Microcystin-LY

Base Information

• Chemical Name: Microcystin-LY
• CAS No.: 123304-10-9
• Molecular Formula: C52H71 N7 O13
• Molecular Weight: 1002.17
• European Community (EC) Number: 621-442-6
• Mol file: 123304-10-9.mol

Synonyms:microcystin LY;microcystin-LY

Chemical Property of Microcystin-LY

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1310.2°Cat760mmHg
• Flash Point: 746.2°C
• PSA: 319.91000
• Density: 1.28g/cm³
• LogP: 4.10640
• Storage Temp.: −20°C
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 13
• Exact Mass: 1001.51098534
• Heavy Atom Count: 72
• Complexity: 1990

Purity/Quality:

99% ^*data from raw suppliers

Microcystin-LW solution ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T
• Statements: 11-23/24/25-39/23/24/25
• 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=CC=C(C=C2)O)C=CC(=CC(C)C(CC3=CC=CC=C3)OC)C
• Isomeric 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=C(C=C2)O)/C=C\C(=C\C(C)C(CC3=CC=CC=C3)OC)\C