5S,6R-DiHETE
Grundinformationen
- CAS
82948-88-7- Standard-SMILES
CCCCC/C=C\C\C=C/C=C/C=C/[C@@H](O)[C@@H](O)CCCC(=O)O- InChIKey
UVZBUUTTYHTDRR-NSEFZGNTSA-N- Summenformel
- C20H32O4
- Durchschnittliche Molmasse
- 336,5 g/mol
Überblick
(5S,6R)-dihydroxy-(7E,9E,11Z,14Z)-icosatetraenoic acid is a dihydroxyicosatetraenoic acid (7E,9E,11Z,14Z)-icosatetraenoic acid in which the two hydroxy substituents are located at positions 5S and 6R. It is a conjugate acid of a (5S,6R)-dihydroxy-(7E,9E,11Z,14Z)-icosatetraenoate.
Namen und Bezeichner
- Bevorzugter Name
- 5S,6R-DiHETE
- IUPAC
- (5S,6R,7E,9E,11Z,14Z)-5,6-dihydroxyicosa-7,9,11,14-tetraenoic acid
- Englischer Name
- (5S,6S)-Dihydroxy-(7E,9E,11Z,14Z)-eicosatetraenoic acid
- Summenformel
- C20H32O4
- Molmasse
- 336.47
Namen und Synonyme
5(S),6(R)-diHETE5S,6R-DiHETE(5S,6R,7E,9E,11Z,14Z)-5,6-dihydroxyicosa-7,9,11,14-tetraenoic acid(5S,6R)-DiHETECHEBI:138295(5S,6R)-dihydroxy-(7E,9E,11Z,14Z)-eicosatetraenoic acid(5S,6R)-dihydroxy-(7E,9E,11Z,14Z)-icosatetraenoic acid(5S,6R,7E,9E,11Z,14Z)-5,6-dihydroxyeicosatetraenoic acid(5S,6R,7E,9E,11Z,14Z)-5,6-dihydroxyicosatetraenoic acid7,9,11,14-Eicosatetraenoic acid, 5,6-dihydroxy-, (5S,6R,7E,9E,11Z,14Z)-RefChem:103594UVZBUUTTYHTDRR-NSEFZGNTSA-N
Weitere Namen anzeigen
[5S,6S]-DIHETE5(S),6(R)DiHETE,5(S),6(R) DiHETE5(S),6(R)-DiHETE MaxSpecStandard5(S),6(R)-DiHETE Lipid Maps MS Standard5(S),6(R)-dihydroxy-7(E),9(E),11(Z),14(Z)-ETA5(S),6(R)-DIHYDROXYEICOSA-7E,9E,11Z,14Z-TETRAENOIC ACID5(S),6(R)-Dihydroxyeicosa-7E,9E,11Z,14Z-tetraenoic acid (DiHETE)
82948-88-75S,6R-dihydroxy-7E,9E,11Z,14Z-eicosatetraenoic acid(5S,6S)-Dihydroxy-(7E,9E,11Z,14Z)-eicosatetraenoic acid5(S),6(R)-DiHETE Lipid Maps(R) MS StandardBML1-D03orb1692707SCHEMBL8509699LMFA03060017
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,3
- Polarare Oberfläche (TPSA)
- 77,8 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 14
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 421
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Hydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Physikochemische Eigenschaften
- Siedepunkt
- 537.6 · 537.6±50.0 °C(Predicted)
- Dichte
- 1.04 · 1.040±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- Löslichkeit
- 50 mg/ml; · DMF: 50 mg/ml; DMSO: 50 mg/ml; Ethanol: 50 mg/ml; PBS (pH 7.2): 1 mg/ml
- Aggregatzustand
- Colorless liquid.
- pka
- 4.67 · 4.67±0.10(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1170 3/PG 2
- risk_code
- 11-36/37/38
- hazard_code
- F,Xi
- safety_code
- 16-26-36
Chemie und Industrie
Anwendungen
Verwenden5(S),6(R)-DiHETE is a LTD4 receptor agonist.
Anbieter12 Anbieter
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海一研生物科技有限公司021-69985186 13611928337 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
武汉艾美捷科技有限公司4006800868;027-59626688 18771149750 · [email protected]
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…