Chem
J-GLOBAL ID:200907050646050135   Nikkaji number:J2.331.440A

1-O,3-O-Bis[[1-O,2-O-dioctanoyl-L-glycerin-3-O-yl](2-cyanoethoxy)phosphinyl]-2-O-benzyl-L-glycerol

1-O,3-O-ビス[[1-O,2-O-ジオクタノイル-L-グリセリン-3-O-イル](2-シアノエトキシ)ホスフィニル]-2-O-ベンジル-L-グリセロール
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: C54H90N2O17P2
Molecular formula furigana: C54-H90-N2-O17-P2
Molecular weight: 1101.259
InChI: InChI=1S/C54H90N2O17P2/c1-5-9-13-17-24-32-51(57)64-41-49(72-53(59)34-26-19-15-11-7-3)45-70-74(61,66-38-28-36-55)68-43-48(63-40-47-30-22-21-23-31-47)44-69-75(62,67-39-29-37-56)71-46-50(73-54(60)35-27-20-16-12-8-4)42-65-52(58)33-25-18-14-10-6-2/h21-23,30-31,48-50H,5-20,24-29,32-35,38-46H2,1-4H3/t48?,49-,50-,74?,75?/m1/s1
InChI key: PVONHRYVYWPWGR-WJCOHXGISA-N
SMILES: CCCCCCCC(=O)OC[C@H](COP(=O)(OCCC#N)OCC(COP(=O)(OCCC#N)OC[C@@H](COC(=O)CCCCCCC)OC(=O)CCCCCCC)OCc1ccccc1)OC(=O)CCCCCCC
Systematic name  (3):
  • 1-O,3-O-ビス[[1-O,2-O-ジオクタノイル-L-グリセリン-3-O-イル](2-シアノエトキシ)ホスフィニル]-2-O-ベンジル-L-グリセロール
  • (2R)-1-({[2-(ベンジルオキシ)-3-({[(2R)-2,3-ビス(オクタノイルオキシ)プロポキシ](2-シアノエトキシ)ホスホリル}オキシ)プロポキシ](2-シアノエトキシ)ホスホリル}オキシ)-3-(オクタノイルオキシ)プロパン-2-イル オクタノアート
  • (2R)-1-({[2-(benzyloxy)-3-({[(2R)-2,3-bis(octanoyloxy)propoxy](2-cyanoethoxy)phosphoryl}oxy)propoxy](2-cyanoethoxy)phosphoryl}oxy)-3-(octanoyloxy)propan-2-yl octanoate
Other name (1):
  • 1-O,3-O-Bis[[1-O,2-O-dioctanoyl-L-glycerin-3-O-yl](2-cyanoethoxy)phosphinyl]-2-O-benzyl-L-glycerol
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