Potassium ionophore III

Base Information

• Chemical Name: Potassium ionophore III
• CAS No.: 99348-39-7
• Molecular Formula: C46H70 N4 O18
• Molecular Weight: 967.06
• DSSTox Substance ID: DTXSID80409092
• Nikkaji Number: J862.366J
• Wikidata: Q82214783
• Mol file: 99348-39-7.mol

Synonyms:Potassium ionophore III;99348-39-7;[2-methyl-2-[(18-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)carbamoyloxymethyl]tetradecyl] N-(18-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)carbamate;[2-methyl-2-[(17-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-18-yl)carbamoyloxymethyl]tetradecyl] N-(17-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-18-yl)carbamate;SCHEMBL13136606;DTXSID80409092;EX-A5240;PS-18785;F89394;Potassium ionophore III, Selectophore(TM), function tested;2-Dodecyl-2-methyl-1,3-propanediyl bis[N-[5'-nitro(benzo-15-crown-5)-4'-yl]carbamate;2-Dodecyl-2-methyl-1,3-propanediyl bis[N-[5'-nitro(benzo-15-crown-5)-4'-yl]carbamate];2-Dodecyl-2-methylpropane-1,3-diyl bis((16-nitro-2,3,5,6,8,9,11,12-octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecin-15-yl)carbamate);2-dodecyl-2-methylpropane-1,3-diyl bis(16-nitro-2,3,5,6,8,9,11,12-octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecin-15-ylcarbamate)

Chemical Property of Potassium ionophore III

Chemical Property:

• Vapor Pressure: 2.58E-35mmHg at 25°C
• Boiling Point: 925.4°C at 760 mmHg
• Flash Point: 513.5°C
• PSA: 260.60000
• Density: 1.197g/cm³
• LogP: 9.45190
• XLogP3: 9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 19
• Exact Mass: 966.46851140
• Heavy Atom Count: 68
• Complexity: 1310

Purity/Quality:

98%min ^*data from raw suppliers

Potassium ionophore III Selectophore ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCC(C)(COC(=O)NC1=CC2=C(C=C1[N+](=O)[O-])OCCOCCOCCOCCO2)COC(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCOCCOCCOCCO4