Chem
J-GLOBAL ID:200907038527635346
Nikkaji number:J1.846.139K
2-[[(3S,4R,5E)-1,1-Difluoro-3-(stearoylamino)-4-hydroxy-5-nonadecenyl]oxylatophosphinyloxy]ethyltrimethylaminium
2-(トリメチルアザニウミル)エチル [(3S,4R,5E)-1,1-ジフルオロ-4-ヒドロキシ-3-オクタデカンアミドノナデカ-5-エン-1-イル]ホスホナート
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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:
C42 H83 F2 N[N+]O4 [O-]P
Molecular formula furigana:
C42-H83-F2-N2-O5-P
Molecular weight:
765.106
InChI:
InChI=1S/C42H83F2N2O5P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(48)45-39(38-42(43,44)52(49,50)51-37-36-46(3,4)5)40(47)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h32,34,39-40,47H,6-31,33,35-38H2,1-5H3,(H-,45,48,49,50)/b34-32+/t39-,40+/m0/s1
InChI key:
APMIXSPJBQPXLS-YJFXYUILSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC(F)(F)P(=O)([O-])OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCCCCC
Systematic name (3):
2-[[(3S,4R,5E)-1,1-ジフルオロ-3-(ステアロイルアミノ)-4-ヒドロキシ-5-ノナデセニル]オキシラトホスフィニルオキシ]エチルトリメチルアミニウム
2-(トリメチルアザニウミル)エチル [(3S,4R,5E)-1,1-ジフルオロ-4-ヒドロキシ-3-オクタデカンアミドノナデカ-5-エン-1-イル]ホスホナート
2-(trimethylazaniumyl)ethyl [(3S,4R,5E)-1,1-difluoro-4-hydroxy-3-octadecanamidononadec-5-en-1-yl]phosphonate
Other name (1):
2-[[(3S,4R,5E)-1,1-Difluoro-3-(stearoylamino)-4-hydroxy-5-nonadecenyl]oxylatophosphinyloxy]ethyltrimethylaminium
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