2-Hydroxypalmitinsure

2-Hydroxyhexadecanoic acid

HCID 92836CAS 2398-34-7

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Grundinformationen

Standard-SMILES: CCCCCCCCCCCCCCC(O)C(=O)O
InChIKey: JGHSBPIZNUXPLA-UHFFFAOYSA-N
Summenformel: C16H32O3
Durchschnittliche Molmasse: 272,42 g/mol
Monoisotopische Masse: 272,23514488

Überblick

2-hydroxyhexadecanoic acid is a 2-hydroxy fatty acid comprising a C16 straight chain carrying a hydroxy substituent at position 2. It has a role as a human metabolite. It is a 2-hydroxy fatty acid and a hydroxypalmitic acid. It is a conjugate acid of a 2-hydroxyhexadecanoate.

Namen und Bezeichner

Bevorzugter Name: 2-Hydroxyhexadecanoic acid
IUPAC: 2-hydroxyhexadecanoic acid
Lokaler Name: 2-Hydroxypalmitinsure
Englischer Name: 2-HYDROXYHEXADECANOIC ACID
Summenformel: C16H32O3
Molmasse: 272.42

Namen und Synonyme

2-Hydroxyhexadecanoic acid2-Hydroxypalmitic acid764-67-0alpha-Hydroxypalmitic acidB5R9PI06KDNSC-2097CHEBI:65101RefChem:473478212-129-1MFCD00014343Hexadecanoic acid, 2-hydroxy-2-hydroxy-hexadecanoic acid

Weitere Namen anzeigen

Hydroxypalmiticacid2-HYDROXY C16:0 ACID2-hydroxypalmiticaciHYDROXYPALMITIC ACID, 2-2-HydroxypalmiticAcid>dl-A-hydroxypalmitic acid

C16H32O310067-06-8DL-alpha-Hydroxypalmitic acid2-hydroxy palmitic acid.alpha.-Hydroxypalmitic acid(+/-)-2-hydroxyhexadecanoic acidUNII-B5R9PI06KD2-HYDROXYHEXADECANOICACID

Datenbank-Bezeichner

CAS: 2398-34-7、764-67-0
PubChem CID: 92836
DTXSID: DTXSID601365160
ChEBI: CHEBI:65101
UNII: B5R9PI06KD
EC Number: 212-129-1
Nikkaji: J193.129F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,4
Polarare Oberfläche (TPSA): 57,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 14
Schwere Atome: 19
Formalladung: 0
Komplexität: 204

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]

Physikochemische Eigenschaften

Schmelzpunkt: 86 °C · 86 °C
Siedepunkt: 405.5 · 405.5±18.0 °C(Predicted)
Dichte: 0.955 · 0.955±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: very faint turbidity in Methanol
Aggregatzustand: powder to crystal
pka: 3.86 · 3.86±0.21(Predicted)
Farbe: White to Almost white
InChI: 1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
InChIKey: JGHSBPIZNUXPLA-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCC(O)C(O)=O
LogP: 6.21 · 6.210 (est)
CAS Datenbank: 764 · 764-67-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2918.19.9000
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Hydroxyhexadecanoic Acid is used in the investigation of role of hypoxia in mechanism of action of elisidepsin which reduces drug efficiency by inhibiting hydroxylation and altering structure of lipid rafts in human SKBR-3, MCF-7, MDA-MB-453 cell lines. Also used in the studies on the antiviral activity of hydroxy fatty acids.