Chem
J-GLOBAL ID:200907016752928448   Nikkaji number:J1.412.006H

Diethylamidothiophosphoric acid O-[2-(1,3-dioxo-1,3,3aα,4,5,6,7,7aα-octahydro-4β,7β-methano-2H-isoindole-2-yl)ethyl]O-[2,3-bis(palmitoyloxy)propyl] ester

ジエチルアミドチオりん酸O-[2-(1,3-ジオキソ-1,3,3aα,4,5,6,7,7aα-オクタヒドロ-4β,7β-メタノ-2H-イソインドール-2-イル)エチル]O-[2,3-ビス(パルミトイルオキシ)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: C50H91N2O8PS
Molecular formula furigana: C50-H91-N2-O8-P-S
Molecular weight: 911.320
InChI: InChI=1S/C50H91N2O8PS/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-45(53)57-40-44(60-46(54)34-32-30-28-26-24-22-20-18-16-14-12-10-6-2)41-59-61(62,51(7-3)8-4)58-38-37-52-49(55)47-42-35-36-43(39-42)48(47)50(52)56/h42-44,47-48H,5-41H2,1-4H3/t42-,43+,44?,47+,48-,61?
InChI key: LHVWDZNQPYFJCA-QBHBVNSISA-N
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=S)(OCCN1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1=O)N(CC)CC)OC(=O)CCCCCCCCCCCCCCC
Systematic name  (3):
  • ジエチルアミドチオりん酸O-[2-(1,3-ジオキソ-1,3,3aα,4,5,6,7,7aα-オクタヒドロ-4β,7β-メタノ-2H-イソインドール-2-イル)エチル]O-[2,3-ビス(パルミトイルオキシ)プロピル]
  • 1-{[(ジエチルアミノ)({2-[(1R,2S,6R,7S)-3,5-ジオキソ-4-アザトリシクロ[5.2.1.02,6]デカン-4-イル]エトキシ})スルファニリデン-λ5-ホスファニル]オキシ}-3-(ヘキサデカノイルオキシ)プロパン-2-イル ヘキサデカノアート
  • 1-{[(diethylamino)({2-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]ethoxy})sulfanylidene-λ5-phosphanyl]oxy}-3-(hexadecanoyloxy)propan-2-yl hexadecanoate
Other name (1):
  • Diethylamidothiophosphoric acid O-[2-(1,3-dioxo-1,3,3aα,4,5,6,7,7aα-octahydro-4β,7β-methano-2H-isoindole-2-yl)ethyl]O-[2,3-bis(palmitoyloxy)propyl] ester
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