Chem
J-GLOBAL ID:200907035293307669   Nikkaji number:J2.267.043C

[(1S,2S)-1-Methyl-2-(tetradecanoyloxy)-3-phosphonopropyl]trimethylaminium

[(2S,3S)-2-(テトラデカノイルオキシ)-3-(トリメチルアザニウミル)ブチル]ホスホン酸
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: C21H45[N+]O5P
Molecular formula furigana: C21-H45-N-O5-P
Molecular weight: 422.566
InChI: InChI=1S/C21H44NO5P/c1-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-20(18-28(24,25)26)19(2)22(3,4)5/h19-20H,6-18H2,1-5H3,(H-,24,25,26)/p+1/t19-,20+/m0/s1
InChI key: KNESHIYHLBYIGL-VQTJNVASSA-O
SMILES: CCCCCCCCCCCCCC(=O)O[C@H](CP(=O)(O)O)[C@H](C)[N+](C)(C)C
Systematic name  (3):
  • [(1S,2S)-1-メチル-2-(テトラデカノイルオキシ)-3-ホスホノプロピル]トリメチルアミニウム
  • [(2S,3S)-2-(テトラデカノイルオキシ)-3-(トリメチルアザニウミル)ブチル]ホスホン酸
  • [(2S,3S)-2-(tetradecanoyloxy)-3-(trimethylazaniumyl)butyl]phosphonic acid
Other name (1):
  • [(1S,2S)-1-Methyl-2-(tetradecanoyloxy)-3-phosphonopropyl]trimethylaminium
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