Chem
J-GLOBAL ID：200907010315925725   Nikkaji number：J518.954C

O-[[(S)-3-(Hexadecylthio)-2-(methoxymethyl)propyloxy]phosphonyl]choline

O-[[(S)-3-(ヘキサデシルチオ)-2-(メトキシメチル)プロピルオキシ]ホスホニル]コリン
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： C26H57[N+]O5PS
Molecular formula furigana： C26-H57-N-O5-P-S
Molecular weight： 526.780
InChI： InChI=1S/C26H56NO5PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34-25-26(23-30-5)24-32-33(28,29)31-21-20-27(2,3)4/h26H,6-25H2,1-5H3/p+1/t26-/m0/s1
InChI key： ODEDPKNSRBCSDO-SANMLTNESA-O
SMILES： CCCCCCCCCCCCCCCCSC[C@@H](COC)COP(=O)(O)OCC[N+](C)(C)C
Systematic name  (3)：
  • O-[[(S)-3-(ヘキサデシルチオ)-2-(メトキシメチル)プロピルオキシ]ホスホニル]コリン
  • [(2S)-3-(ヘキサデシルスルファニル)-2-(メトキシメチル)プロポキシ][2-(トリメチルアザニウミル)エトキシ]ホスフィン酸
  • [(2S)-3-(hexadecylsulfanyl)-2-(methoxymethyl)propoxy][2-(trimethylazaniumyl)ethoxy]phosphinic acid
Other name (1)：
  • O-[[(S)-3-(Hexadecylthio)-2-(methoxymethyl)propyloxy]phosphonyl]choline
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