10,11,12-Trihydroxyeicosatrienoic acid
Basic information
- CAS
85589-25-9- Standard SMILES
CCCCC/C=C/CC(O)C(O)C(O)/C=C/C/C=C/CCCC(=O)O- InChIKey
GOHNIXDAQODZKP-UHFFFAOYSA-N- Molecular formula
- C20H34O5
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.24062418
Names & identifiers
- Preferred name
- 10,11,12-Trihydroxyeicosatrienoic acid
- IUPAC
- (5E,8E,14E)-10,11,12-trihydroxyicosa-5,8,14-trienoic acid
- English name
- 10,11,12-trihydroxyeicosatrienoic acid
- Molecular formula
- C20H34O5
- Molecular weight
- 354.48
Names & synonyms
10,11,12-Trihydroxyeicosatrienoic acid10,11,12-Teta85589-25-95,8,14-Eicosatrienoic acid, 10,11,12-trihydroxy-RefChem:77349(5E,8E,14E)-10,11,12-trihydroxyicosa-5,8,14-trienoic acidSCHEMBL1480054
Database identifiers
- CAS
85589-25-9- PubChem CID
- 6439713
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 15
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 414
Physicochemical properties
- Boiling point
- 554.9 · 554.9±50.0 °C(Predicted)
- Density
- 1.081 · 1.081±0.06 g/cm3(Predicted)
- pka
- 4.77 · 4.77±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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