Potassium ionophore III structure

Potassium ionophore III

[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

Also Known As: Potassium ionophore III|BME 44|BME-44|EX-A5240|HY-W783680|[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-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-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|Potassium ionophore III, Selectophore(TM), function tested|2-methyl-2-({[(16-nitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)carbamoyl]oxy}methyl)tetradecyl N-(16-nitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)carbamate|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-methyl-1,3-propanediyl bis[N-[5 inverted exclamation marka-nitro(benzo-15-crown-5)-4 inverted exclamation marka-yl]carbamate]|2-Dodecyl-2-methyl-1,3-propanediyl bis[N-[5'-nitro(benZo-15-crown-5)-4'-yl]carbamate] (Potassium ionophore III)|2-Methyl-2-({[(16-nitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)carbamoyl]oxy}methyl)tetradecyl (16-nitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)carbamate|Bis[[(2,3,5,6,8,9,11,12-octahydro-16-nitro-1,4,7,10,13-benzopentaoxacyclopentadecin)-15-yl]carbamic acid]2-dodecyl-2-methyl-1,3-propanediyl ester|Bis[18-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-carbamic acid]2-dodecyl-2-methyl-1,3-propanediyl ester|Bis[6-nitro-3,4-[oxybis(ethyleneoxyethyleneoxy)]phenylcarbamic acid]2-methyl-2-dodecyl-1,3-propanediyl ester|Bis[N-[[16-nitro-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin]-15-yl]carbamic acid]2-dodecyl-2-methyl-1,3-propanediyl ester|Potassium ionophore III, BME 44, AC1NQ0TF, 60397_FLUKA, 2-Dodecyl-2-methyl-1,3-propanediyl bis[N-[5-nitro(benzo-15-crown-5)-4-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, 2-Dodecyl-2-methyl-1,3-propanediyl bis[N-[5 inverted exclamation marka-nitro(benzo-15-crown-5)-4 inverted exclamation marka-yl]carbamate], 99348-39-7

CAS: 99348-39-7
Molecular Formula C46H70N4O18
Molecular Weight 966.4685 g/mol
LogP 8.2595
Topological Polar Surface Area 255.24 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 18
Rotatable Bonds 19
Exact Mass 966.4685
Monoisotopic Mass 966.4685
Heavy Atoms 68
Complexity 1706.4911

Chemical Identifiers

CAS Number 99348-39-7
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

Product Overview

Potassium ionophore III (CAS 99348-39-7), with molecular formula C46H70N4O18 and molecular weight 966.4685 g/mol. IUPAC: [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.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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