Chem
J-GLOBAL ID:200907026134012080   Nikkaji number:J1.955.570D

O-[[[(R)-2,3-Bis(6-hydroxyhexanoyloxy)propyl]oxy]thiolatothiophophinyl]choline

O-[[[(R)-2,3-ビス(6-ヒドロキシヘキサノイルオキシ)プロピル]オキシ]チオラトチオホスフィニル]コリン
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: C20H40[N+]O8PS[S-]
Molecular formula furigana: C20-H40-N-O8-P-S2
Molecular weight: 517.630
InChI: InChI=1S/C20H40NO8PS2/c1-21(2,3)12-15-27-30(31,32)28-17-18(29-20(25)11-7-5-9-14-23)16-26-19(24)10-6-4-8-13-22/h18,22-23H,4-17H2,1-3H3/t18-/m1/s1
InChI key: PCVXRRHGROROHS-GOSISDBHSA-N
SMILES: C[N+](C)(C)CCOP(=S)([S-])OC[C@@H](COC(=O)CCCCCO)OC(=O)CCCCCO
Systematic name  (3):
  • O-[[[(R)-2,3-ビス(6-ヒドロキシヘキサノイルオキシ)プロピル]オキシ]チオラトチオホスフィニル]コリン
  • [(9R)-9,10-ビス[(6-ヒドロキシヘキサノイル)オキシ]-2,2-ジメチル-6-スルファニリデン-5,7-ジオキサ-2-アザ-6λ5-ホスファデカン-2-イウム-6-イル]スルファニド
  • [(9R)-9,10-bis[(6-hydroxyhexanoyl)oxy]-2,2-dimethyl-6-sulfanylidene-5,7-dioxa-2-aza-6λ5-phosphadecan-2-ium-6-yl]sulfanide
Other name (1):
  • O-[[[(R)-2,3-Bis(6-hydroxyhexanoyloxy)propyl]oxy]thiolatothiophophinyl]choline
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