[1,4,7,10-Tetraazacyclododecane-1,4,7,10-Tetrayltetrakis(Methylene)]Tetrakis(Phosphonic Acid)

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Properties Simple | Detailed

Formula C12H32N4O12P4
IUPAC Name oxido-oxo-[[(1s,4s,10s)-4-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)methyl]-7,10-bis(phosphooxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]methoxy]phosphonium
Molecular Mass 548.297 g·mol−1
Heat of Formation -3145.0 ± 16.7 kJ·mol−1
Dipole Moment 6.36 ± 1.08 D
Volume 582.46 Å 3
Surface Area 419.04 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy 0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayltetrakis(methylene))tetrakisphosphonic acid
  • (4,7,10-tris(phosphonomethyl)-1,4,7,10-tetraazacyclododecan-1-yl)methylphosphonic acid
  • 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetra(methylene phosphonic acid)
  • 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrakis(methylenephosphonic acid)
  • 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl-tetrakis(methylphosphonic acid)
  • 1,4,7,10-tetraazacyclododecanetrayl-1,4,7,10-tetrakis(methylene)tetrakisphosphonic acid
  • dotmp
  • phosphonic acid, (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayltetrakis(methylene))tetrakis-
CAS Number(s)
  • 91987-74-5
InChIKey RCXMQNIDOFXYDO-UHFFFAOYSA-N
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