Cas no 93858-90-3 (Phosphonic acid,[2,5,8,11,14,17-hexakis(phosphonomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bis-,octaammonium salt (9CI))

Phosphonic acid,[2,5,8,11,14,17-hexakis(phosphonomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bis-,octaammonium salt (9CI) structure
93858-90-3 structure
Product Name:Phosphonic acid,[2,5,8,11,14,17-hexakis(phosphonomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bis-,octaammonium salt (9CI)
CAS No:93858-90-3
MF:C18H76N14O24P8
MW:1120.66553020477
CID:804114
PubChem ID:44153719
Update Time:2025-04-19

Phosphonic acid,[2,5,8,11,14,17-hexakis(phosphonomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bis-,octaammonium salt (9CI) Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid,[2,5,8,11,14,17-hexakis(phosphonomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bis-,octaammonium salt (9CI)
    • octaammonium octahydrogen [2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bisphosphonate
    • octaazanium,[2-[bis[[hydroxy(oxido)phosphoryl]methyl]amino]ethyl-[2-[2-[2-[2-[bis[[hydroxy(oxido)phosphoryl]methyl]amino]ethyl-[[hydroxy(oxido)phosphoryl]methyl]amino]ethyl-[[hydroxy(oxido)phosphoryl]
    • Octaammonium octahydrogen (2,5,8,11,14,17-hexakis(phosphonatomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl)bisphosphonate
    • 93858-90-3
    • EINECS 299-325-0
    • Inchi： 1S/C18H52N6O24P8.8H3N/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);8*1H3
    • InChI Key： NYTFOVRLJGJMMM-UHFFFAOYSA-N
    • SMILES： P(CN(CCN(CP(=O)([O-])O)CCN(CP(=O)([O-])O)CP(=O)([O-])O)CCN(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+]

Computed Properties

  • Exact Mass: 1120.3057853g/mol
  • Monoisotopic Mass: 1120.3057853g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 16
  • Hydrogen Bond Acceptor Count: 30
  • Heavy Atom Count: 64
  • Rotatable Bond Count: 31
  • Complexity: 1410
  • Covalently-Bonded Unit Count: 9
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 510?2

Phosphonic acid,[2,5,8,11,14,17-hexakis(phosphonomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bis-,octaammonium salt (9CI) Related Literature

93858-90-3 (Phosphonic acid,[2,5,8,11,14,17-hexakis(phosphonomethyl)-2,5,8,11,14,17-hexaazaoctadecane-1,18-diyl]bis-,octaammonium salt (9CI)) Related Products

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