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2-Aminooctadec-4-en-1,3-diol
SPHINGOSINE · D-SPHINGOSINE · Sphingosine (d18:1) · CEREBROSIDE · 4-SPHINGENINE · (2S,3R,E)-2-aMinooctadec-4-ene-1,3-diol · TRANS-D-ERYTHRO-2-AMINO-4-OCTADECENE-1,3-DIOL · Sphingenine
Identifikatoren & physikalische Daten
| CAS No. | 123-78-4 |
|---|---|
| Summenformel | C18H37NO2 |
| Durchschnittliche Molmasse | 299,5 g/mol |
| Monoisotopische Masse | 299,28242942 g/mol |
| SMILES | CCCCCCCCCCCCCC=CC(O)C(N)CO |
| InChIKey | WWUZIQQURGPMPG-UHFFFAOYSA-N |
| PubChem CID | 1104 |
| EC No. | 204-651-3 |
| Lokaler Name | 2-Aminooctadec-4-en-1,3-diol |
Chemische & physikalische Eigenschaften
| XLogP | 5,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,5 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 15 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 231 |
| Schmelzpunkt | 74.2-78.1 °C |
| Siedepunkt | 440.8°C (rough estimate) |
| Dichte | 0.9758 (rough estimate) |
| Brechungsindex | 1.5000 (estimate) |
| Lagerbedingungen | -20°C |
| Löslichkeit | chloroform: 20 mg/mL, clear, colorless to very faintly yellow |
| Aggregatzustand | Powder or Waxy Solid |
| pKa (Säurekonstante) | 11.80±0.45(Predicted) |
| Farbe | White to cream |
| Biologische Quelle | synthetic |
| Merck | 14,8747 |
| BRN | 1727294 |
| Stabilität | Stable. Incompatible with strong acids, strong bases, strong oxidizing agents. |
| InChI | 1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1 |
| InChIKey | WWUZIQQURGPMPG-KRWOKUGFSA-N |
| SMILES | OC[C@@](N)([H])[C@]([H])(O)/C=C/CCCCCCCCCCCCC |
| CAS Datenbank | 123-78-4 |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 3.3% (1 of 30) of reports.WarningH315 (96.7%): 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 30 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (96.7%) |
| F | 1-8-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29221985 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Chronic 4 |
Anwendungen & Verwendung
Verwenden
D-erythro-Sphingosine is used to inhibits protein kinase C and calmodulin-dependent enzymes, induces apoptosis. And also used to constituent of cell membranes.