Chem
J-GLOBAL ID：200907006525482845   Nikkaji number：J1.885.690E

[(3S,4R)-1,1-Difluoro-3-(hexanoylamino)-4-hydroxyundecyl][2-(trimethylaminio)ethoxy] phosphinate

2-(トリメチルアザニウミル)エチル [(3S,4R)-1,1-ジフルオロ-3-ヘキサンアミド-4-ヒドロキシウンデシル]ホスホナート
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： C22H45F2N[N+]O4[O-]P
Molecular formula furigana： C22-H45-F2-N2-O5-P
Molecular weight： 486.582
InChI： InChI=1S/C22H45F2N2O5P/c1-6-8-10-11-13-14-20(27)19(25-21(28)15-12-9-7-2)18-22(23,24)32(29,30)31-17-16-26(3,4)5/h19-20,27H,6-18H2,1-5H3,(H-,25,28,29,30)/t19-,20+/m0/s1
InChI key： MPICCKWSIFOOAM-VQTJNVASSA-N
SMILES： CCCCCCC[C@@H](O)[C@H](CC(F)(F)P(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCC
Systematic name  (5)：
  • 2-[[[(3S,4R)-3-[(1-オキソヘキシル)アミノ]-4-ヒドロキシ-1,1-ジフルオロウンデシル](オキシラト)ホスフィニル]オキシ]エチルトリメチルアミニウム
  • [(3S,4R)-1,1-ジフルオロ-3-(ヘキサノイルアミノ)-4-ヒドロキシウンデシル][2-(トリメチルアミニオ)エトキシ]ホスフィナート
  • [[(3S,4R)-1,1-ジフルオロ-3-(ヘキサノイルアミノ)-4-ヒドロキシウンデシル]ホスホン酸2-(トリメチルアミニオ)エチル]アニオン
  • 2-(トリメチルアザニウミル)エチル [(3S,4R)-1,1-ジフルオロ-3-ヘキサンアミド-4-ヒドロキシウンデシル]ホスホナート
  • 2-(trimethylazaniumyl)ethyl [(3S,4R)-1,1-difluoro-3-hexanamido-4-hydroxyundecyl]phosphonate
Other name (3)：
  • 2-[[[(3S,4R)-3-[(1-Oxohexyl)amino]-4-hydroxy-1,1-difluoroundecyl](oxylato)phosphinyl]oxy]ethyltrimethylaminium
  • [(3S,4R)-1,1-Difluoro-3-(hexanoylamino)-4-hydroxyundecyl][2-(trimethylaminio)ethoxy] phosphinate
  • [[(3S,4R)-1,1-Difluoro-3-(hexanoylamino)-4-hydroxyundecyl]phosphonic acid 2-(trimethylaminio)ethyl]anion
Thsaurus map：
Thesaurus Map

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