11-Oxotetrodotoxin

Base Information

• Chemical Name: 11-Oxotetrodotoxin
• CAS No.: 123665-88-3
• Molecular Formula: C₁₁H₁₇N₃O₉
• Molecular Weight: 335.271
• DSSTox Substance ID: DTXSID10924566
• Mol file: 123665-88-3.mol

Synonyms:11-oxo-tetrodotoxin;11-oxo-TTX;11-oxotetrodotoxin

Chemical Property of 11-Oxotetrodotoxin

Chemical Property:

• Vapor Pressure: 1.74E-29mmHg at 25°C
• Boiling Point: 798.5°Cat760mmHg
• Flash Point: 436.7°C
• PSA: 207.98000
• Density: 2.99g/cm³
• LogP: -5.23440
• XLogP3: -6.4
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 1
• Exact Mass: 335.09647913
• Heavy Atom Count: 23
• Complexity: 589

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C12C3C(C4C(C1(C(C(O3)(O4)O)O)NC(=NC2O)N)O)(C(O)O)O