(R)-3-hydroxytetradecanoic acid
Grundinformationen
- CAS
28715-21-1- Standard-SMILES
CCCCCCCCCCC[C@@H](O)CC(=O)O- InChIKey
ATRNZOYKSNPPBF-CYBMUJFWSA-N- Summenformel
- C14H28O3
- Durchschnittliche Molmasse
- 244,37 g/mol
- Monoisotopische Masse
- 244,20384476
Überblick
(R)-3-hydroxytetradecanoic acid is a 3-hydroxytetradecanoic acid that has R configuration at position 3. It plays an intermediate role in fatty acid biosynthesis. It is a 3-hydroxytetradecanoic acid and a (3R)-3-hydroxy fatty acid. It is functionally related to a tetradecanoic acid. It is a conjugate acid of a (R)-3-hydroxytetradecanoate. It is an enantiomer of a (S)-3-hydroxytetradecanoic acid.
Namen und Bezeichner
- Bevorzugter Name
- (R)-3-hydroxytetradecanoic acid
- IUPAC
- (3R)-3-hydroxytetradecanoic acid
- Englischer Name
- (R)-3-Hydroxy Myristic Acid
- Summenformel
- C14H28O3
- Molmasse
- 244.37
Namen und Synonyme
(R)-3-Hydroxytetradecanoic acid28715-21-1(R)-3-Hydroxymyristic acid(R)-(-)-3-Hydroxytetradecanoic acidTetradecanoic acid, 3-hydroxy-, (3R)-D-(-)-beta-Hydroxymyristic acid(3R)-hydroxymyristic acid(-)-3-hydroxymyristic acid3-Hydroxymyristic acid, (-)-CHEBI:425393-Hydroxymyristic acid, (3R)-(R)-3-Hydroxy-tetradecanoic acid
Weitere Namen anzeigen
3-HYDROXYMYRISTIC ACID3-HYDROXYTETRADECANOIC ACID3-HYDROXY C14:0 ACID(3R)-TetradecanoicacidHYDROXYMYRISTIC ACID, 3-(R)-3-HydroxyMyristicAciDL-BETA-HYDROXYMYRISTIC ACIDD-3-Hydroxytetradecanoic Acid(R)-(-)-3-Hydroxytetradecanoic
R7C245Y68XDTXSID001305047D-(-)-.BETA.-HYDROXYMYRISTIC ACIDRefChem:407295DTXCID301735045631-127-5(3R)-3-Hydroxytetradecanoic acid(r)-3-hydroxy myristic acid
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,7
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 12
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 180
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 71 · 71-72°C
- Siedepunkt
- 376.9 · 376.9±25.0 °C(Predicted)
- Dichte
- 0.969 · 0.969±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), Dichloromethane (Slightly), Diethyl Ether (Slightly)
- pka
- 4.38 · 4.38±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- InChI
- InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P354+P338, P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesEye Dam. 1 (100%)
Sicherheitsdaten
- wgk
- 3
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Metabolite PathwaysFatty Acid Biosynthesis
Anwendungen
VerwendenOne of two major component of bacterial Lipid A .
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
8
Notizen zur Verbindung
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