Chem
J-GLOBAL ID:200907049466639477   Nikkaji number:J2.309.658G

N-[4-(4-Aminobenzyl)phenyl]amidophosphoric acid bis[[(1-phospha-2,6,7-trioxabicyclo[2.2.2]octane1-oxide)-4-yl]methyl] ester

N-[4-(4-アミノベンジル)フェニル]アミドりん酸ビス[[(1-ホスファ-2,6,7-トリオキサビシクロ[2.2.2]オクタン1-オキシド)-4-イル]メチル]
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: C23H29N2O9[O-]2P[P+]2
Molecular formula furigana: C23-H29-N2-O11-P3
Molecular weight: 602.409
InChI: InChI=1S/C23H29N2O11P3/c24-20-5-1-18(2-6-20)9-19-3-7-21(8-4-19)25-37(26,29-10-22-12-31-38(27,32-13-22)33-14-22)30-11-23-15-34-39(28,35-16-23)36-17-23/h1-8H,9-17,24H2,(H,25,26)
InChI key: MHACPSVWMUMISU-UHFFFAOYSA-N
SMILES: Nc1ccc(Cc2ccc(NP(=O)(OCC34CO[P+]([O-])(OC3)OC4)OCC34CO[P+]([O-])(OC3)OC4)cc2)cc1
Systematic name  (4):
  • N-[4-(4-アミノベンジル)フェニル]アミドりん酸ビス[[(1-ホスファ-2,6,7-トリオキサビシクロ[2.2.2]オクタン1-オキシド)-4-イル]メチル]
  • N-[4-(4-アミノベンジル)フェニル]アミドりん酸ビス[[(2,6,7-トリオキサ-1-ホスファビシクロ[2.2.2]オクタン1-オキシド)-4-イル]メチル]
  • 4-({[({4-[(4-アミノフェニル)メチル]フェニル}アミノ)({1-オキシド-2,6,7-トリオキサ-1-ホスファビシクロ[2.2.2]オクタン-1-イウム-4-イル}メトキシ)ホスホリル]オキシ}メチル)-2,6,7-トリオキサ-1-ホスファビシクロ[2.2.2]オクタン-1-イウム-1-オラート
  • 4-({[({4-[(4-aminophenyl)methyl]phenyl}amino)({1-oxido-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-1-ium-4-yl}methoxy)phosphoryl]oxy}methyl)-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octan-1-ium-1-olate
Other name (2):
  • N-[4-(4-Aminobenzyl)phenyl]amidophosphoric acid bis[[(1-phospha-2,6,7-trioxabicyclo[2.2.2]octane1-oxide)-4-yl]methyl] ester
  • N-[4-(4-Aminobenzyl)phenyl]amidophosphoric acid bis[[(2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane1-oxide)-4-yl]methyl] ester
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