Cas no 156832-61-0 (3,5,28,30-Tetraoxa-4,29-diphosphadotriacontane-1,32-diaminium,4,29-dihydroxy-N1,N1,N1,N32,N32,N32-hexamethyl-, bis(inner salt), 4,29-dioxide)

3,5,28,30-Tetraoxa-4,29-diphosphadotriacontane-1,32-diaminium,4,29-dihydroxy-N1,N1,N1,N32,N32,N32-hexamethyl-, bis(inner salt), 4,29-dioxide structure
156832-61-0 structure
Product Name:3,5,28,30-Tetraoxa-4,29-diphosphadotriacontane-1,32-diaminium,4,29-dihydroxy-N1,N1,N1,N32,N32,N32-hexamethyl-, bis(inner salt), 4,29-dioxide
CAS No:156832-61-0
MF:C32H70N2O8P2
MW:672.854332447052
CID:143494
PubChem ID:177983
Update Time:2025-04-19

3,5,28,30-Tetraoxa-4,29-diphosphadotriacontane-1,32-diaminium,4,29-dihydroxy-N1,N1,N1,N32,N32,N32-hexamethyl-, bis(inner salt), 4,29-dioxide Chemical and Physical Properties

Names and Identifiers

    • 3,5,28,30-Tetraoxa-4,29-diphosphadotriacontane-1,32-diaminium,4,29-dihydroxy-N1,N1,N1,N32,N32,N32-hexamethyl-, bis(inner salt), 4,29-dioxide
    • 22-[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxydocosyl 2-(trimethylazaniumyl)ethyl phosphate
    • 3,5,28,30-Tetraoxa-4,29-diphosphadotriacontane-1,32-diaminium,4,29-dihydroxy-N1,N1,N1,N32,N32,...
    • 2,2-dimethyl-6,6-dioxido-5,7-dioxa-2-azonia-6lambda~5~-phosphanonacosan-29-yl 2-(trimethylammonio)ethyl phosphate (non-preferred name)
    • Irlbacholine
    • DTXSID40166139
    • 156832-61-0
    • SCHEMBL4972574
    • 1,22-Bis[{[(trimethylammonium)ethoxy]phosphinyl}oxy]docosane
    • 1,22-Bis[[[2-(trimethylammonium)ethoxyl]-phosphinyl]oxy]docosane
    • CHEMBL506186
    • SP-19502
    • 2-[hydroxy-[22-[hydroxy-[2-(trimethylammonio)ethoxy]phosphoryl]oxydocosoxy]phosphoryl]oxyethyl-trimethyl-ammonium
    • Inchi： 1S/C32H70N2O8P2/c1-33(2,3)27-31-41-43(35,36)39-29-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-30-40-44(37,38)42-32-28-34(4,5)6/h7-32H2,1-6H3
    • InChI Key： PUNFUIMDUBRENC-UHFFFAOYSA-N
    • SMILES： P(=O)([O-])(OCCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C)OCC[N+](C)(C)C

Computed Properties

  • Exact Mass: 672.46074
  • Monoisotopic Mass: 672.46074
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 33
  • Complexity: 681
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 117
  • XLogP3: 7.8

Experimental Properties

  • Density: g/cm3
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 136.80000
  • LogP: 9.34440

3,5,28,30-Tetraoxa-4,29-diphosphadotriacontane-1,32-diaminium,4,29-dihydroxy-N1,N1,N1,N32,N32,N32-hexamethyl-, bis(inner salt), 4,29-dioxide Related Literature

Related Categories

156832-61-0 (3,5,28,30-Tetraoxa-4,29-diphosphadotriacontane-1,32-diaminium,4,29-dihydroxy-N1,N1,N1,N32,N32,N32-hexamethyl-, bis(inner salt), 4,29-dioxide) Related Products

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