D-myo-Inositol, (2R)-1-[2,3-bis[(1-oxooctyl)oxy]propyl hydrogen phosphate] 3,4,5-tris(dihydrogen phosphate), tetraammonium salt

Catalog No. :
ACSDCK130
CAS No. :
852043-38-0
Molecular Formula :
C25H53NO22P4
Molecular Weight :
843.58

IUPAC Name:(2R)-3-(((((1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl)oxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dioctanoate, ammonia salt

D-myo-Inositol, (2R)-1-[2,3-bis[(1-oxooctyl)oxy]propyl hydrogen phosphate] 3,4,5-tris(dihydrogen phosphate), tetraammonium salt structure diagram
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Product Information

Product NameD-myo-Inositol, (2R)-1-[2,3-bis[(1-oxooctyl)oxy]propyl hydrogen phosphate] 3,4,5-tris(dihydrogen phosphate), tetraammonium salt
IUPAC Name(2R)-3-(((((1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl)oxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dioctanoate, ammonia salt
Molecular FormulaC25H53NO22P4
Molecular Weight843.58
SMILESOP(O[C@@H]1[C@@H](O)[C@H](OP(O)(OC[C@@H](COC(CCCCCCC)=O)OC(CCCCCCC)=O)=O)[C@H](O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O)(O)=O.N
InChI KeyIHEBAOZPGYEVIY-MUKDOCLBSA-N
SynonymPIP3[3',4',5'](8:0/8:0)
CAS No.852043-38-0
PubChem CID145710314

Synthetic Route by SureRoute

1. ACSDCK130 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACLZIR593 route compound structure diagram
    ACLZIR59373482-96-9 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACSDCK130 route product structure diagram
    ACSDCK130852043-38-0
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2. ACSDCK130 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACSDCK130 route product structure diagram
    ACSDCK130852043-38-0
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