Chemical Property of microcystin RR
Chemical Property:
- Appearance/Colour:white solid
- Refractive Index:1.618
- Boiling Point:514.6 °C at 760 mmHg
- PKA:3.02±0.70(Predicted)
- Flash Point:265 °C
- PSA：402.54000
- Density:1.36 g/cm3
- LogP:3.33780
- Storage Temp.:−20°C
- Solubility.:ethanol: water (1:1): 50 mg/mL
- XLogP3:-0.2
- Hydrogen Bond Donor Count:12
- Hydrogen Bond Acceptor Count:14
- Rotatable Bond Count:17
- Exact Mass:1037.56581488
- Heavy Atom Count:74
- Complexity:2120
- Purity/Quality:
-
98%,99%, *data from raw suppliers
Microcystin-RR *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
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)CCCN=C(N)N)C(=O)O)C)CCCN=C(N)N)C=CC(=CC(C)C(CC2=CC=CC=C2)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)CCCN=C(N)N)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C
