Chem
J-GLOBAL ID：200907095261296811   Nikkaji number：J1.540.524D

[[(3R,4R)-1,1-Difluoro-2,4-dihydroxy-3-(octadecanoylamino)-4-phenylbutyl]phosphonic acid [2-(trimethylaminio)ethyl]]anion

2-(トリメチルアザニウミル)エチル [(3R,4R)-1,1-ジフルオロ-2,4-ジヒドロキシ-3-オクタデカンアミド-4-フェニルブチル]ホスホナート
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： C33H59F2N[N+]O5[O-]P
Molecular formula furigana： C33-H59-F2-N2-O6-P
Molecular weight： 648.814
InChI： InChI=1S/C33H59F2N2O6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29(38)36-30(31(39)28-23-20-19-21-24-28)32(40)33(34,35)44(41,42)43-27-26-37(2,3)4/h19-21,23-24,30-32,39-40H,5-18,22,25-27H2,1-4H3,(H-,36,38,41,42)/t30-,31-,32?/m1/s1
InChI key： OTHGXHXFVHBBCK-BDMLFTSDSA-N
SMILES： CCCCCCCCCCCCCCCCCC(=O)N[C@H]([C@H](O)c1ccccc1)C(O)C(F)(F)P(=O)([O-])OCC[N+](C)(C)C
Systematic name  (3)：
  • [[(3R,4R)-1,1-ジフルオロ-2,4-ジヒドロキシ-3-(オクタデカノイルアミノ)-4-フェニルブチル]ホスホン酸[2-(トリメチルアミニオ)エチル]]アニオン
  • 2-(トリメチルアザニウミル)エチル [(3R,4R)-1,1-ジフルオロ-2,4-ジヒドロキシ-3-オクタデカンアミド-4-フェニルブチル]ホスホナート
  • 2-(trimethylazaniumyl)ethyl [(3R,4R)-1,1-difluoro-2,4-dihydroxy-3-octadecanamido-4-phenylbutyl]phosphonate
Other name (1)：
  • [[(3R,4R)-1,1-Difluoro-2,4-dihydroxy-3-(octadecanoylamino)-4-phenylbutyl]phosphonic acid [2-(trimethylaminio)ethyl]]anion
Thsaurus map：
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