Tolytoxin

Base Information

• Chemical Name: Tolytoxin
• CAS No.: 127999-44-4
• Molecular Formula: C46H75 N O13
• Molecular Weight: 850.093
• DSSTox Substance ID: DTXSID20893517
• Wikidata: Q81982599
• Metabolomics Workbench ID: 140082
• ChEMBL ID: CHEMBL504609
• Mol file: 127999-44-4.mol

Synonyms:6-hydroxy-7-O-methylscytophycin B;tolytoxin

Chemical Property of Tolytoxin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 916.2°C at 760 mmHg
• Flash Point: 507.9°C
• Density: 1.14g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 16
• Exact Mass: 849.52384145
• Heavy Atom Count: 60
• Complexity: 1470

Purity/Quality:

TOLYTOXIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: other cyclic peptide
• Canonical SMILES: CC1C(CC(C2(CO2)C(CC3CC=CC(O3)CC(C(C=C(C=CC(=O)OC1C(C)C(C(C)CCC(=O)C(C)C(C(C)C=CN(C)C=O)OC)O)C)O)OC)OC)OC)OC
• Isomeric SMILES: C[C@H]1[C@@H](C[C@@H]([C@]2(CO2)[C@H](C[C@@H]3CC=C[C@H](O3)C[C@H]([C@H](/C=C(/C=C/C(=O)O[C@@H]1[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC)O)\C)O)OC)OC)OC)OC