Basic information
- CAS
85589-24-8- Standard SMILES
CCCCCC=CCC1OC1C=CC(O)CC=CCCCC(=O)O- InChIKey
SGTUOBURCVMACZ-UHFFFAOYSA-N- Molecular formula
- C20H32O4
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.2300595
Overview
8-Hydroxy-10-(3-oct-2-enyloxiran-2-yl)deca-5,9-dienoic acid has been reported in Homo sapiens with data available.
Names & identifiers
- Preferred name
- 8-Hydroxy-10-(3-oct-2-enyloxiran-2-yl)deca-5,9-dienoic acid
- IUPAC
- 8-hydroxy-10-(3-oct-2-enyloxiran-2-yl)deca-5,9-dienoic acid
- English name
- 8(R,S)-Hydroxy-11(S),12(S)-epoxyeicosa-5z,9e,14z-trienoic acid
- Molecular formula
- C20H32O4
- Molecular weight
- 336.47
Names & synonyms
8-hydroxy-10-[3-(oct-2-en-1-yl)oxiran-2-yl]deca-5,9-dienoic acid8-Hydroxy-10-(3-(Oct-2-En-1-Yl)Oxiran-2-Yl)Deca-5,9-Dienoic Acidorb3174355SCHEMBL1482464DTXSID008689208-hydroxy-10-(3-oct-2-enyloxiran-2-yl)deca-5,9-dienoic acidKDA589248-hydroxy-11,12-epoxy-5,9,14-icosatrienoic acidHEPOXILIN A3(5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoic acid8-Eh-2Hepoxalin A3
Show more names
Hepoxillin A38,11(12)-HEPETREHepoxilin A3 (Mixture of DiastereoMers)8-hydroxy-11,12-epoxyeicosa-5,9,14-trienoic acid8-Hydroxy-10-[3-(2-octenyl)oxiranyl]-5,9-decadienoic acid5,9-Decadienoic acid, 8-hydroxy-10-(3-(2-octenyl)oxiranyl)-
Database identifiers
- CAS
85589-24-8、94161-11-2- PubChem CID
- 3586
- DTXSID
DTXSID00868920
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
Physicochemical properties
- Boiling point
- 483.3 · 483.3±45.0 °C(Predicted)
- Density
- 1.078 · 1.078±0.06 g/cm3(Predicted)
- pka
- 4.77 · 4.77±0.10(Predicted)
- FDA UNII
- 0 N6UES · BSO00N6UES
Chemistry & industry
Suppliers5 total
上海陶素生化科技有限公司021-33632979 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: A C20 trienoic hydroxy fatty acid consisting of 8-hydroxyicosa-5,9,14-trienoic acid having an epoxy group at the 11,12-position.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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