Microcystin YR

Base Information

• Chemical Name: Microcystin YR
• CAS No.: 101064-48-6
• Molecular Formula: C52H72N10O13
• Molecular Weight: 1045.2
• European Community (EC) Number: 621-458-3
• UNII: 4G08121T5U
• DSSTox Substance ID: DTXSID00880086
• Nikkaji Number: J455.682H
• Wikidata: Q27259546
• Pharos Ligand ID: AYJS3D1G79JZ
• ChEMBL ID: CHEMBL4633668
• Mol file: 101064-48-6.mol

Synonyms:cyanoginosin LA, 3-tyrosyl-5-arginine-;cyanoginosin YR;cyanoginosin-YR;microcystin YR

Chemical Property of Microcystin YR

Chemical Property:

• Appearance/Colour: white powder
• Refractive Index: 1.615
• PKA: 3.02±0.70(Predicted)
• Flash Point: 11 °C
• PSA: 360.87000
• Density: 1.33 g/cm³
• LogP: 3.83190
• Storage Temp.: −20°C
• Solubility.: methanol: 2 mg/mL (further dilute to 10% (v/v) methanol)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 15
• Exact Mass: 1044.52803239
• Heavy Atom Count: 75
• Complexity: 2110

Purity/Quality:

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

Microcystin-YR solution 10μg/mL in methanol, analytical standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+,T,F
• Hazard Codes: T+,T,F
• Statements: 26/27/28-36/37/38-43-39/23/24/25-23/24/25-11
• Safety Statements: 26-36/37/39-45-36/37-16-7

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Microcystin
• 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)CC2=CC=C(C=C2)O)C(=O)O)C)CCCN=C(N)N)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)CC2=CC=C(C=C2)O)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC3=CC=CC=C3)OC)/C
• Uses: Microcystin YR from Microcystis aeruginosa has been used to assess cytotoxicity in neutrophils using DNA fragmentation and cell viability assays and as a reference standard in the quantification of microcystin from water samples.