Cas no 94023-09-3 (Octaazanium;N,N'-bis[2-[bis(phosphonatomethyl)amino]ethyl]-N,N'-bis(phosphonatomethyl)ethane-1,2-diamine;hydron)

Octaazanium;N,N'-bis[2-[bis(phosphonatomethyl)amino]ethyl]-N,N'-bis(phosphonatomethyl)ethane-1,2-diamine;hydron structure
94023-09-3 structure
Product Name:Octaazanium;N,N'-bis[2-[bis(phosphonatomethyl)amino]ethyl]-N,N'-bis(phosphonatomethyl)ethane-1,2-diamine;hydron
CAS No:94023-09-3
MF:C12H60N12O18P6
MW:846.516966819763
CID:805808
Update Time:2023-08-03

Octaazanium;N,N'-bis[2-[bis(phosphonatomethyl)amino]ethyl]-N,N'-bis(phosphonatomethyl)ethane-1,2-diamine;hydron Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid,[1,2-ethanediylbis[[(phosphonomethyl)imino]-2,1-ethanediylnitrilobis(methylene)]]tetrakis-,octaammonium salt (9CI)
    • octaammonium tetrahydrogen [ethane-1,2-diylbis[[(phosphonatomethyl)imino]ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonate
    • octaazanium,N,N'-bis[2-[bis(phosphonatomethyl)amino]ethyl]-N,N'-bis(phosphonatomethyl)ethane-1,2-diamine,hydron
    • Octaammonium tetrahydrogen (ethane-1,2-diylbis(((phosphonatomethyl)imino)ethane-2,1-diylnitrilobis(methylene)))tetrakisphosphonate
    • Octaazanium;N,N'-bis[2-[bis(phosphonatomethyl)amino]ethyl]-N,N'-bis(phosphonatomethyl)ethane-1,2-dia
    • Octaazanium;N,N'-bis[2-[bis(phosphonatomethyl)amino]ethyl]-N,N'-bis(phosphonatomethyl)ethane-1,2-diamine;hydron
    • Inchi： 1S/C12H36N4O18P6.8H3N/c17-35(18,19)7-13(3-5-15(9-37(23,24)25)10-38(26,27)28)1-2-14(8-36(20,21)22)4-6-16(11-39(29,30)31)12-40(32,33)34;;;;;;;;/h1-12H2,(H2,17,18,19)(H2,20,21,22)(H2,23,24,25)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);8*1H3
    • InChI Key： OAEIAAMQXRIICJ-UHFFFAOYSA-N
    • SMILES： P(CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[H+].[H+].[H+].[H+]

Computed Properties

  • Hydrogen Bond Donor Count: 12
  • Hydrogen Bond Acceptor Count: 22
  • Heavy Atom Count: 48
  • Rotatable Bond Count: 15
  • Complexity: 872
  • Topological Polar Surface Area: 400

Octaazanium;N,N'-bis[2-[bis(phosphonatomethyl)amino]ethyl]-N,N'-bis(phosphonatomethyl)ethane-1,2-diamine;hydron Related Literature

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