Chem
J-GLOBAL ID:200907016064439069   Nikkaji number:J2.438.037H

Phosphoric acid tris[3-[[3-(tetradecanoylamino)propyl]dimethylaminio]-2-hydroxypropyl] ester

りん酸トリス[3-[[3-(テトラデカノイルアミノ)プロピル]ジメチルアミニオ]-2-ヒドロキシプロピル]
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: C66H138N3[N+]3O10P
Molecular formula furigana: C66-H138-N6-O10-P
Molecular weight: 1206.834
InChI: InChI=1S/C66H135N6O10P/c1-10-13-16-19-22-25-28-31-34-37-40-46-64(76)67-49-43-52-70(4,5)55-61(73)58-80-83(79,81-59-62(74)56-71(6,7)53-44-50-68-65(77)47-41-38-35-32-29-26-23-20-17-14-11-2)82-60-63(75)57-72(8,9)54-45-51-69-66(78)48-42-39-36-33-30-27-24-21-18-15-12-3/h61-63,73-75H,10-60H2,1-9H3/p+3
InChI key: JRTNTKGHJYKDFW-UHFFFAOYSA-Q
SMILES: CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)COP(=O)(OCC(O)C[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCC)OCC(O)C[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCC
Systematic name  (3):
  • りん酸トリス[3-[[3-(テトラデカノイルアミノ)プロピル]ジメチルアミニオ]-2-ヒドロキシプロピル]
  • (3-{[ビス({3-[ジメチル(3-テトラデカンアミドプロピル)アザニウミル]-2-ヒドロキシプロポキシ})ホスホリル]オキシ}-2-ヒドロキシプロピル)ジメチル(3-テトラデカンアミドプロピル)アザニウム
  • (3-{[bis({3-[dimethyl(3-tetradecanamidopropyl)azaniumyl]-2-hydroxypropoxy})phosphoryl]oxy}-2-hydroxypropyl)dimethyl(3-tetradecanamidopropyl)azanium
Other name (1):
  • Phosphoric acid tris[3-[[3-(tetradecanoylamino)propyl]dimethylaminio]-2-hydroxypropyl] ester
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