PPI-1011
[(2R)-1-[5-[(3R)-dithiolan-3-yl]pentanoyloxy]-3-hexadecoxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Molecular Identity
PPI-1011
[(2R)-1-[5-[(3R)-dithiolan-3-yl]pentanoyloxy]-3-hexadecoxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
PubChem CID: 71732146
2D Structure
Properties
C49H82O5S2
Molecular Formula
815.30
Molecular Weight
g/mol
814.5604
Exact Mass
Da
16
XLogP
Above Lipinski threshold
112
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
7
H-Bond Acceptors
1080
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(13)
PPI-10115V51S7839P1395418-56-01,2-Dithiolane-3-pentanoic acid, (2R)-3-(hexadecyloxy)-2-(((4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl)oxy)propyl ester, (3R)-RefChem:175670PPI1011UNII-5V51S7839PPPI 1011CHEMBL6068521SCHEMBL29617377Q272629131,2-DITHIOLANE-3-PENTANOIC ACID, (2R)-2-(((4Z,7Z,10Z,13Z,16Z,19Z)-1-OXO-4,7,10,13,16,19-DOCOSAHEXAEN-1-YL)OXY)-3-((1-OXOHEXADECYL)OXY)PROPYL ESTER, (3R)-1,2-Dithiolane-3-pentanoic acid, 3-(hexadecyloxy)-2-(((4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl)oxy)propyl ester, (3R)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to PPI-1011
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