Basic information
- CAS
121694-97-1- Standard SMILES
CC/C=C\C/C=C\C/C=C\CC(/C=C/C=C\C/C=C\CCC(=O)O)OO- InChIKey
HSHRTZVKQSPCGR-BGKMTWLOSA-N- Molecular formula
- C22H32O4
- Average molar mass
- 360.5 g/mol
- Monoisotopic mass
- 360.2300595
Names & identifiers
- Preferred name
- (4Z,7Z,9E,13Z,16Z,19Z)-11-Hydroperoxydocosahexaenoic acid
- IUPAC
- (4Z,7Z,9E,13Z,16Z,19Z)-11-hydroperoxydocosa-4,7,9,13,16,19-hexaenoic acid
Names & synonyms
DTXSID701146642(4Z,7Z,9E,13Z,16Z,19Z)-11-Hydroperoxydocosahexaenoic acid(4Z,7Z,9E,13Z,16Z,19Z)-11-Hydroperoxy-4,7,9,13,16,19-docosahexaenoic acid(4Z,7Z,9E,13Z,16Z,19Z)-11-Hydroperoxydocosa-4,7,9,13,16,19-hexaenoic acid121694-97-1
Database identifiers
- CAS
121694-97-1- PubChem CID
- 156908063
- DTXSID
DTXSID701146642
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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