Chem
J-GLOBAL ID：200907068121376630   Nikkaji number：J2.601.712B

(S)-2-(4-Octylphenethyl)-2-ammonio-1,3-propanediol 3-phosphoric acid

(S)-2-(4-オクチルフェネチル)-2-アンモニオ-1,3-プロパンジオール3-りん酸
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： C19H35[N+]O5P
Molecular formula furigana： C19-H35-N-O5-P
Molecular weight： 388.464
InChI： InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/p+1/t19-/m0/s1
InChI key： LRFKWQGGENFBFO-IBGZPJMESA-O
SMILES： CCCCCCCCc1ccc(CC[C@]([NH3+])(CO)COP(=O)(O)O)cc1
Systematic name  (3)：
  • (S)-2-(4-オクチルフェネチル)-2-アンモニオ-1,3-プロパンジオール3-りん酸
  • [(2S)-2-アザニウミル-3-ヒドロキシ-2-[2-(4-オクチルフェニル)エチル]プロポキシ]ホスホン酸
  • [(2S)-2-azaniumyl-3-hydroxy-2-[2-(4-octylphenyl)ethyl]propoxy]phosphonic acid
Other name (1)：
  • (S)-2-(4-Octylphenethyl)-2-ammonio-1,3-propanediol 3-phosphoric acid
Thsaurus map：
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