Chem
J-GLOBAL ID：201207087942168814
Nikkaji number：J3.064.991E
12,12′-(2,3,5,6-Tetrafluoro-4-azidobenzylidenebisthio)bis[dodecanoic acid (R)-1-(hexadecanoyloxymethyl)-2-[oxylato[2-(trimethylaminio)ethoxy]phosphinyloxy]ethyl] ester
12,12′-(2,3,5,6-テトラフルオロ-4-アジドベンジリデンビスチオ)ビス[ドデカン酸(R)-1-(ヘキサデカノイルオキシメチル)-2-[オキシラト[2-(トリメチルアミニオ)エトキシ]ホスフィニルオキシ]エチル]
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
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
Molecular formula： C79H143F4N[N-][N+]3O14[O-]2P2S2
Molecular formula furigana： C79-H143-F4-N5-O16-P2-S2
Molecular weight： 1621.090
InChI：
InChI=1S/C79H143F4N5O16P2S2/c1-9-11-13-15-17-19-21-23-25-29-35-41-47-53-69(89)97-63-67(65-101-105(93,94)99-59-57-87(3,4)5)103-71(91)55-49-43-37-31-27-33-39-45-51-61-107-79(73-74(80)76(82)78(85-86-84)77(83)75(73)81)108-62-52-46-40-34-28-32-38-44-50-56-72(92)104-68(66-102-106(95,96)100-60-58-88(6,7)8)64-98-70(90)54-48-42-36-30-26-24-22-20-18-16-14-12-10-2/h67-68,79H,9-66H2,1-8H3/t67-,68-/m1/s1
InChI key：
LFWJMNRKCQBSPU-OQFFVEAFSA-N
SMILES：
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCSC(SCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)c1c(F)c(F)c(N=[N+]=[N-])c(F)c1F
Systematic name (3)：
- 12,12′-(2,3,5,6-テトラフルオロ-4-アジドベンジリデンビスチオ)ビス[ドデカン酸(R)-1-(ヘキサデカノイルオキシメチル)-2-[オキシラト[2-(トリメチルアミニオ)エトキシ]ホスフィニルオキシ]エチル]
- (2-{[(2R)-2-[(12-{[(4-アジド-2,3,5,6-テトラフルオロフェニル)[(12-{[(2R)-1-(ヘキサデカノイルオキシ)-3-{[2-(トリメチルアザニウミル)エチル ホスホナト]オキシ}プロパン-2-イル]オキシ}-12-オキソドデシル)スルファニル]メチル]スルファニル}ドデカノイル)オキシ]-3-(ヘキサデカノイルオキシ)プロピル ホスホナト]オキシ}エチル)トリメチルアザニウム
- (2-{[(2R)-2-[(12-{[(4-azido-2,3,5,6-tetrafluorophenyl)[(12-{[(2R)-1-(hexadecanoyloxy)-3-{[2-(trimethylazaniumyl)ethyl phosphonato]oxy}propan-2-yl]oxy}-12-oxododecyl)sulfanyl]methyl]sulfanyl}dodecanoyl)oxy]-3-(hexadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
- 12,12′-(2,3,5,6-Tetrafluoro-4-azidobenzylidenebisthio)bis[dodecanoic acid (R)-1-(hexadecanoyloxymethyl)-2-[oxylato[2-(trimethylaminio)ethoxy]phosphinyloxy]ethyl] ester
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