1,2-Dioctanoyl-sn-glycerol
[(2S)-3-hydroxy-2-octanoyloxypropyl] octanoate
Molecular Identity
1,2-Dioctanoyl-sn-glycerol
[(2S)-3-hydroxy-2-octanoyloxypropyl] octanoate
PubChem CID: 148879
1,2-dioctanoyl-sn-glycerol is 1,2-diacyl-sn-glycerol in which both the 1- and 2-acyl groups are specified as octanoyl. Formula C19H36O5. It is a 1,2-diacyl-sn-glycerol and a dioctanoylglycerol. It is an enantiomer of a 2,3-dioctanoyl-sn-glycerol.
2D Structure
Properties
C19H36O5
Molecular Formula
344.50
Molecular Weight
g/mol
344.2563
Exact Mass
Da
5.4
XLogP
Above Lipinski threshold
72.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
317
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCIsomeric SMILES
SMILES: CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCSynonyms(20)
1,2-dioctanoyl-sn-glycerol60514-48-9sn-1,2-Dioctanoylglycerol1,2-Dicapryloyl-sn-glycerolD-alpha,beta-DicaprylinCHEBI:76979DTXSID701311778caprylic acid ((2S)-2-caprylyloxy-3-hydroxy-propyl) estercaprylic acid [(2S)-2-caprylyloxy-3-hydroxy-propyl] esterRefChem:906744DTXCID301741599(S)-3-Hydroxypropane-1,2-diyl dioctanoateDicaprylglyceride[(2S)-3-hydroxy-2-octanoyloxypropyl] octanoateCHEMBL55267
Data from PubChem (NCBI)
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Drug Network
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