Basic information
- CAS
129171-41-1- Standard SMILES
CCCCC/C=C\C[C@@H]1O[C@H]1/C=C/[C@@H](O)C/C=C\CCCC(=O)O- InChIKey
SGTUOBURCVMACZ-JQGBYENFSA-N- Molecular formula
- C20H32O4
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.2300595
Overview
(8S)-hepoxilin A3 is a hepoxilin A3 in which the stereocentre at position 8 has S-configuration. It is a conjugate acid of an (8S)-hepoxilin A3(1-).
Names & identifiers
- Preferred name
- (8S)-hepoxilin A3
- IUPAC
- (5Z,8S,9E)-8-hydroxy-10-[(2S,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,9-dienoic acid
Names & synonyms
(8S)-hepoxilin A3(5Z,8S,9E)-8-hydroxy-10-[(2S,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,9-dienoic acid(8R)-Hepoxilin A3CHEBI:132809DTXSID601045697129171-41-1(8S)-hydroxy-(11S,12S)-hepoxilin A3Q27225673(8S)-hydroxy-(11S,12S)-epoxy-(5Z,9E,14Z)-eicosatrienoic acid(8S)-hydroxy-(11S,12S)-epoxy-(5Z,9E,14Z)-icosatrienoic acid(5Z,8S,9E)-8-hydroxy-10-{(2S,3S)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}deca-5,9-dienoic acid
Database identifiers
- CAS
129171-41-1- PubChem CID
- 5283207
- DTXSID
DTXSID601045697- ChEBI
CHEBI:132809- Nikkaji
- J640.451K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…