Hexadecanoic acid, 1,1'-[(1R)-1-[11-[4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)phenyl]-3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphaundec-1-yl]-1,2-ethanediyl] ester, Sodium salt (1:1)

Catalog No. :
ACULXY349
CAS No. :
384835-50-1
Molecular Formula :
C51H85N2NaO11P+
Molecular Weight :
956.21

IUPAC Name:(2R)-3-(((2-(4-(4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl)butanamido)ethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate, sodium salt

Hexadecanoic acid, 1,1'-[(1R)-1-[11-[4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)phenyl]-3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphaundec-1-yl]-1,2-ethanediyl] ester, Sodium salt (1:1) structure diagram
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Product Information

Product NameHexadecanoic acid, 1,1'-[(1R)-1-[11-[4-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)phenyl]-3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphaundec-1-yl]-1,2-ethanediyl] ester, Sodium salt (1:1)
IUPAC Name(2R)-3-(((2-(4-(4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl)butanamido)ethoxy)(hydroxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate, sodium salt
Molecular FormulaC51H85N2NaO11P+
Molecular Weight956.21
SMILESO=C1C=CC(N1C1C=CC(=CC=1)CCCC(=O)NCCOP(O)(=O)OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)=O.[Na+]
InChI KeyREKODAHLWDSEBQ-FYQWNKFKSA-N
Synonym384835-50-1 | Sodium (2R)-2,3-bis(hexadecanoyloxy)propyl 2-{4-[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl]butanamido}ethyl phosphate | sodium;[(2R)-2,3-di(hexadecanoyloxy)propyl] 2-[4-[4-(2,5-dioxopyrrol-1-yl)phenyl]butanoylamino]ethyl phosphate | DTXSID506
CAS No.384835-50-1
PubChem CID46907826

Synthetic Route by SureRoute

1. ACULXY349 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  5. ACULXY349 route product structure diagram
    ACULXY349384835-50-1
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2. ACULXY349 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACULXY349 route product structure diagram
    ACULXY349384835-50-1
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