Chem
J-GLOBAL ID：200907039894219169   Nikkaji number：J1.272.955C

[2-[[[(1S,5R,9R,13R,17R,20S,24S,28R,32R)-5,9,13,17,20,24,28,32-Octamethyl-2,35-dioxacyclohexatriacontane-1-yl]methoxy]phosphonyloxy]ethyl]trimethylaminium

[2-[[[(1S,5R,9R,13R,17R,20S,24S,28R,32R)-5,9,13,17,20,24,28,32-オクタメチル-2,35-ジオキサシクロヘキサトリアコンタン-1-イル]メトキシ]ホスホニルオキシ]エチル]トリメチルアミニウム
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： C48H99[N+]O6P
Molecular formula furigana： C48-H99-N-O6-P
Molecular weight： 817.294
InChI： InChI=1S/C48H98NO6P/c1-40-18-12-20-42(3)24-16-28-46(7)32-35-52-38-48(39-55-56(50,51)54-37-34-49(9,10)11)53-36-33-47(8)29-17-25-43(4)21-13-19-41(2)23-15-27-45(6)31-30-44(5)26-14-22-40/h40-48H,12-39H2,1-11H3/p+1/t40-,41+,42+,43+,44?,45+,46+,47+,48?/m0/s1
InChI key： XCMMUNVMOFXKDC-BMIZWIEZSA-O
SMILES： C[C@@H]1CCC[C@H](C)CCCC(C)CC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC(COP(=O)(O)OCC[N+](C)(C)C)COCC[C@H](C)CCC1
Systematic name  (3)：
  • [2-[[[(1S,5R,9R,13R,17R,20S,24S,28R,32R)-5,9,13,17,20,24,28,32-オクタメチル-2,35-ジオキサシクロヘキサトリアコンタン-1-イル]メトキシ]ホスホニルオキシ]エチル]トリメチルアミニウム
  • {[(2S,7R,11R,15S,19S,22R,26R,30R,34R)-7,11,15,19,22,26,30,34-オクタメチル-1,4-ジオキサシクロヘキサトリアコンタン-2-イル]メトキシ}[2-(トリメチルアザニウミル)エトキシ]ホスフィン酸
  • {[(2S,7R,11R,15S,19S,22R,26R,30R,34R)-7,11,15,19,22,26,30,34-octamethyl-1,4-dioxacyclohexatriacontan-2-yl]methoxy}[2-(trimethylazaniumyl)ethoxy]phosphinic acid
Other name (1)：
  • [2-[[[(1S,5R,9R,13R,17R,20S,24S,28R,32R)-5,9,13,17,20,24,28,32-Octamethyl-2,35-dioxacyclohexatriacontane-1-yl]methoxy]phosphonyloxy]ethyl]trimethylaminium
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