Chem
J-GLOBAL ID:200907016350519096   Nikkaji number:J691.639B

O-[[(S)-3-(Hexadecyloxy)-2-(acetyloxy)propoxy]phosphonyl]choline

O-[[(S)-3-(ヘキサデシルオキシ)-2-(アセチルオキシ)プロポキシ]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: C26H55[N+]O7P
Molecular formula furigana: C26-H55-N-O7-P
Molecular weight: 524.699
InChI: InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/p+1/t26-/m0/s1
InChI key: HVAUUPRFYPCOCA-SANMLTNESA-O
SMILES: CCCCCCCCCCCCCCCCOC[C@@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C
Systematic name  (3):
  • O-[[(S)-3-(ヘキサデシルオキシ)-2-(アセチルオキシ)プロポキシ]ホスホニル]コリン
  • [(2S)-2-(アセチルオキシ)-3-(ヘキサデシルオキシ)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)-2-(acetyloxy)-3-(hexadecyloxy)propoxy][2-(trimethylazaniumyl)ethoxy]phosphinic acid
Other name (1):
  • O-[[(S)-3-(Hexadecyloxy)-2-(acetyloxy)propoxy]phosphonyl]choline
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