Tetrathermotaurine

Base Information

• Chemical Name: Tetrathermotaurine
• CAS No.: 143413-77-8
• Molecular Formula: C20H37 N O7 S
• Molecular Weight: 435.58
• Mol file: 143413-77-8.mol

Synonyms:2-(2,3-dihydroxy-9,13-oxy-7-trans-octadecenoylamino)ethanesulfonic acid;2-(2,3-dihyroxy-9,13-oxy-7-octadecenoylamino)ethanesulfonic acid;tetrathermotaurine

Chemical Property of Tetrathermotaurine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 145.03000
• Density: 1.222g/cm³
• LogP: 3.87780
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 14
• Exact Mass: 435.22907369
• Heavy Atom Count: 29
• Complexity: 588

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1CCCC(O1)C=CCCCC(C(C(=O)NCCS(=O)(=O)O)O)O
• Isomeric SMILES: CCCCCC1CCCC(O1)/C=C/CCCC(C(C(=O)NCCS(=O)(=O)O)O)O