Chem
J-GLOBAL ID:200907000361065140   Nikkaji number:J1.189.660J

[O-[1-O,2-O-Bis[8-(1,1′-biphenyl-4-yloxy)octanoyl]-L-glycero-3-phospho]choline]anion

[O-[1-O,2-O-ビス[8-(1,1′-ビフェニル-4-イルオキシ)オクタノイル]-L-グリセロ-3-ホスホ]コリン]アニオン
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: C48H64[N+]O9[O-]P
Molecular formula furigana: C48-H64-N-O10-P
Molecular weight: 846.011
InChI: InChI=1S/C48H64NO10P/c1-49(2,3)34-37-57-60(52,53)58-39-46(59-48(51)25-17-7-5-9-19-36-55-45-32-28-43(29-33-45)41-22-14-11-15-23-41)38-56-47(50)24-16-6-4-8-18-35-54-44-30-26-42(27-31-44)40-20-12-10-13-21-40/h10-15,20-23,26-33,46H,4-9,16-19,24-25,34-39H2,1-3H3/t46-/m1/s1
InChI key: SSGPJGXZGZAKMC-YACUFSJGSA-N
SMILES: C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCOc1ccc(cc1)c1ccccc1)OC(=O)CCCCCCCOc1ccc(cc1)c1ccccc1
Systematic name  (3):
  • [O-[1-O,2-O-ビス[8-(1,1′-ビフェニル-4-イルオキシ)オクタノイル]-L-グリセロ-3-ホスホ]コリン]アニオン
  • (2-{[(2R)-2,3-ビス[(8-{[1,1'-ビフェニル]-4-イルオキシ}オクタノイル)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)-2,3-bis[(8-{[1,1'-biphenyl]-4-yloxy}octanoyl)oxy]propyl phosphonato]oxy}ethyl)trimethylazanium
Other name (1):
  • [O-[1-O,2-O-Bis[8-(1,1′-biphenyl-4-yloxy)octanoyl]-L-glycero-3-phospho]choline]anion
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