Chem
J-GLOBAL ID:200907085839218732   Nikkaji number:J1.659.539J

1-[1,4,7-Tris(phosphonomethyl)-1,4,7,10-tetraazacyclododecane-10-yl]nonylphosphonic acid

1-[1,4,7-トリス(ホスホノメチル)-1,4,7,10-テトラアザシクロドデカン-10-イル]ノニルホスホン酸
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C20H48N4O12P4
Molecular formula furigana: C20-H48-N4-O12-P4
Molecular weight: 660.515
InChI: InChI=1S/C20H48N4O12P4/c1-2-3-4-5-6-7-8-20(40(34,35)36)24-15-13-22(18-38(28,29)30)11-9-21(17-37(25,26)27)10-12-23(14-16-24)19-39(31,32)33/h20H,2-19H2,1H3,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)
InChI key: JMDLYQRNJPLNED-UHFFFAOYSA-N
SMILES: CCCCCCCCC(N1CCN(CP(=O)(O)O)CCN(CP(=O)(O)O)CCN(CP(=O)(O)O)CC1)P(=O)(O)O
Systematic name  (3):
  • 1-[1,4,7-トリス(ホスホノメチル)-1,4,7,10-テトラアザシクロドデカン-10-イル]ノニルホスホン酸
  • {[4,7-ビス(ホスホノメチル)-10-(1-ホスホノノニル)-1,4,7,10-テトラアザシクロドデカン-1-イル]メチル}ホスホン酸
  • {[4,7-bis(phosphonomethyl)-10-(1-phosphonononyl)-1,4,7,10-tetraazacyclododecan-1-yl]methyl}phosphonic acid
Other name (1):
  • 1-[1,4,7-Tris(phosphonomethyl)-1,4,7,10-tetraazacyclododecane-10-yl]nonylphosphonic acid
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