Basic information
- CAS
87173-80-6- Standard SMILES
CCCCC/C=C\C/C=C\C/C=C\C[C@H]1O[C@H]1CCCC(=O)O- InChIKey
VBQNSZQZRAGRIX-GSKBNKFLSA-N- Molecular formula
- C20H32O3
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.23514488
Overview
5S,6R-EpETrE is an epoxy fatty acid.
Names & identifiers
- Preferred name
- 5S,6R-EpETrE
- IUPAC
- 4-[(2S,3R)-3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]oxiran-2-yl]butanoic acid
- English name
- (+/-)5,6-Epoxyeicosa-8z,11z,14z-trienoic acid
- Molecular formula
- C20H32O3
- Molecular weight
- 320.47
Names & synonyms
5S,6R-EpETrE5S,6R-EET5S,6R-epoxy-8Z,11Z,14Z-eicosatrienoic acidRefChem:10359587173-80-65,6-epoxyeicosatrienoic acid4-[(2S,3R)-3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]oxiran-2-yl]butanoic acid5',6'-epoxyeicosatrienoic acid4-[(2S,3R)-3-[(2Z,5Z,8Z)-Tetradeca-2,5,8-trien-1-yl]oxiran-2-yl]butanoic acid4-((2S,3R)-3-((2Z,5Z,8Z)-tetradeca-2,5,8-trien-1-yl)oxiran-2-yl)butanoic acid(+/-)-5,6-Epoxy-8Z,11Z,14Z-eicosatrienoic acid(+/-)5,6-EPOXYEICOSA-8Z,11Z,14Z-TRIENOIC ACID
Show more names
5,6-EET5(6)-EPETRE(±)5(6)-EET(+/-)5,6-EET(+/-)-5(6)-EPETRE(±)5(6)-EET ((±)5，6-EpETrE)VBQNSZQZRAGRIX-GSKBNKFLSA-N(±)5(6)-EET ((±)5，6-EpETrE)
5S(6R)-EETorb1985083SCHEMBL15335332CHEBI:165260DTXSID501347492GLXC-21203LMFA03080017MFCD00065839
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 396
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Epoxyeicosatrienoic acids [FA0308]
Physicochemical properties
- Boiling point
- 456.7 · 456.7±25.0 °C(Predicted)
- Density
- 0.983 · 0.983±0.06 g/cm3(Predicted)
- storage temp.
- -80 °C,protect · Store at -80°C,protect from light
- solubility
- 50 mg/ml; · DMF: 50 mg/ml; DMSO: 50 mg/ml; Ethanol: 50 mg/ml; PBS pH 7.2: 1 mg/ml
- form
- Liquid (Density: 0.983±0.06 g/cm3)
- pka
- 4.76 · 4.76±0.10(Predicted)
- color
- Colorless to light yellow
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 225 · H225-H319-H350
- Precautionary statements
- 201 · P201-P202-P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P308+P313-P337+P313-P370+P378-P403+P235-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08
- Hazard statements
- H225-H319-H350
- Precautionary statements
- P201-P202-P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P308+P313-P337+P313-P370+P378-P403+P235-P405-P501
Chemistry & industry
Applications
Uses5'',6''-Epoxyeicosatrienoic acid is a potent vasodilator and TRPV4 agonist.
Suppliers16 total
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
济南药研药物化学有限公司[email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…