Chemical Property of 7-Desmethylmicrocystin LR
Chemical Property:
- Boiling Point:°Cat760mmHg
- PKA:3.03±0.70(Predicted)
- Flash Point:°C
- PSA：349.43000
- Density:1.31g/cm3
- LogP:3.97840
- XLogP3:2.1
- Hydrogen Bond Donor Count:11
- Hydrogen Bond Acceptor Count:13
- Rotatable Bond Count:15
- Exact Mass:980.53311777
- Heavy Atom Count:70
- Complexity:1960
- Purity/Quality:
-
99% *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- 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)NC(=O)CCC(NC1=O)C(=O)O)C)CC(C)C)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)NC(=O)CC[C@@H](NC1=O)C(=O)O)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C
