Chem
J-GLOBAL ID：200907089224676507   Nikkaji number：J1.540.521J

[[(2R,3R)-1,1-Difluoro-2-(octadecanoylamino)-3-hydroxy-4-nonadecenyl]phosphonic acid [2-(trimethylaminio)ethyl]]anion

2-(トリメチルアザニウミル)エチル [(2R,3R)-1,1-ジフルオロ-3-ヒドロキシ-2-オクタデカンアミドノナデカ-4-エン-1-イル]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： C42H83F2N[N+]O4[O-]P
Molecular formula furigana： C42-H83-F2-N2-O5-P
Molecular weight： 765.106
InChI： InChI=1S/C42H83F2N2O5P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-40(48)45-41(42(43,44)52(49,50)51-38-37-46(3,4)5)39(47)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h33,35,39,41,47H,6-32,34,36-38H2,1-5H3,(H-,45,48,49,50)/t39-,41-/m1/s1
InChI key： VVHUZVSOONTHKN-BTMCNDDJSA-N
SMILES： CCCCCCCCCCCCCCCCCC(=O)N[C@H]([C@H](O)C=CCCCCCCCCCCCCCC)C(F)(F)P(=O)([O-])OCC[N+](C)(C)C
Systematic name  (3)：
  • [[(2R,3R)-1,1-ジフルオロ-2-(オクタデカノイルアミノ)-3-ヒドロキシ-4-ノナデセニル]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 [(2R,3R)-1,1-ジフルオロ-3-ヒドロキシ-2-オクタデカンアミドノナデカ-4-エン-1-イル]ホスホナート
  • 2-(trimethylazaniumyl)ethyl [(2R,3R)-1,1-difluoro-3-hydroxy-2-octadecanamidononadec-4-en-1-yl]phosphonate
Other name (1)：
  • [[(2R,3R)-1,1-Difluoro-2-(octadecanoylamino)-3-hydroxy-4-nonadecenyl]phosphonic acid [2-(trimethylaminio)ethyl]]anion
Thsaurus map：
Thesaurus Map

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