Chem
J-GLOBAL ID:200907024980752549   Nikkaji number:J1.225.045B

[3-[[2-(4-Azido-2-nitroanilino)-3-(phosphonooxyphosphonyloxyphosphonyloxy)propylthio]carbonyl]-2,2,5,5-tetramethylpyrrolidine-1-yloxy]radical

[3-[[2-(4-アジド-2-ニトロアニリノ)-3-(ホスホノオキシホスホニルオキシホスホニルオキシ)プロピルチオ]カルボニル]-2,2,5,5-テトラメチルピロリジン-1-イルオキシ]ラジカル
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: C18H28N3[N-][N+]2O13[O-]P3S
Molecular formula furigana: C18-H28-N6-O14-P3-S
Molecular weight: 677.430
InChI: InChI=1S/C18H28N6O14P3S/c1-17(2)8-13(18(3,4)24(17)28)16(25)42-10-12(9-36-40(32,33)38-41(34,35)37-39(29,30)31)20-14-6-5-11(21-22-19)7-15(14)23(26)27/h5-7,12-13,20H,8-10H2,1-4H3,(H,32,33)(H,34,35)(H2,29,30,31)
InChI key: ZRRZKZDOQOGXOR-UHFFFAOYSA-N
SMILES: CC1(C)CC(C(=O)SCC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)Nc2ccc(cc2[N+](=O)[O-])N=[N+]=[N-])C(C)(C)N1[O]
Systematic name  (3):
  • [3-[[2-(4-アジド-2-ニトロアニリノ)-3-(ホスホノオキシホスホニルオキシホスホニルオキシ)プロピルチオ]カルボニル]-2,2,5,5-テトラメチルピロリジン-1-イルオキシ]ラジカル
  • {3-[({2-[(4-アジド-2-ニトロフェニル)アミノ]-3-{[ヒドロキシ({[ヒドロキシ(ホスホノオキシ)ホスホリル]オキシ})ホスホリル]オキシ}プロピル}スルファニル)カルボニル]-2,2,5,5-テトラメチルピロリジン-1-イル}オキシダニル
  • {3-[({2-[(4-azido-2-nitrophenyl)amino]-3-{[hydroxy({[hydroxy(phosphonooxy)phosphoryl]oxy})phosphoryl]oxy}propyl}sulfanyl)carbonyl]-2,2,5,5-tetramethylpyrrolidin-1-yl}oxidanyl
Other name (1):
  • [3-[[2-(4-Azido-2-nitroanilino)-3-(phosphonooxyphosphonyloxyphosphonyloxy)propylthio]carbonyl]-2,2,5,5-tetramethylpyrrolidine-1-yloxy]radical
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