5,6-Dihydroxy-8,11,14-eicosatrienoic acid
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Basic information
- CAS
81920-20-9- Standard SMILES
CCCCC/C=C/C/C=C/C/C=C/CC(O)C(O)CCCC(=O)O- InChIKey
GFNYAPAJUNPMGH-UHFFFAOYSA-N- Molecular formula
- C20H34O4
- Average molar mass
- 338.5 g/mol
- Monoisotopic mass
- 338.24570956
Names & identifiers
- Preferred name
- 5,6-Dihydroxy-8,11,14-eicosatrienoic acid
- IUPAC
- (8E,11E,14E)-5,6-dihydroxyicosa-8,11,14-trienoic acid
- English name
- 5,6-dihydroxy-8,11,14-eicosatrienoic acid
- Molecular formula
- C20H34O4
- Molecular weight
- 338.48
Names & synonyms
5,6-Dihydroxy-8,11,14-eicosatrienoic acid81920-20-95,6-DE-3-A8,11,14-Eicosatrienoic acid, 5,6-dihydroxy-RefChem:101182(8E,11E,14E)-5,6-dihydroxyicosa-8,11,14-trienoic acidLMFA03050015SCHEMBL14790788,11,14-Eicosatrienoic acid, 5,6-dihydroxy-; 5,6-Dihydroxy-8,11,14-eicosatrienoic acid
Database identifiers
- CAS
81920-20-9- PubChem CID
- 5312970
- Nikkaji
- J2.786.289F
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 385
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Hydroxy/hydroperoxyeicosatrienoic acids [FA0305]
Physicochemical properties
- Boiling point
- 515.159 · 515.159±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.026 · 1.026±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.68 · 4.680±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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