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N-Acetylneuraminsure
SIALIC ACID · NEU5AC · NAN · NANA · Acetylneuraminic acid · NeuAc · LACTAMINIC ACID · (-)-N-ACETYLNEURAMINIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 131-48-6 |
|---|---|
| Summenformel | C11H19NO9 |
| Durchschnittliche Molmasse | 309,27 g/mol |
| Monoisotopische Masse | 309,10598118 g/mol |
| SMILES | CC(=O)NC1C(O)C[C@@](O)(C(=O)O)OC1C(O)C(O)CO |
| InChIKey | SQVRNKJHWKZAKO-RASJKGJYSA-N |
| PubChem CID | 124040735 |
| EC No. | 205-023-1 |
| Lokaler Name | N-Acetylneuraminsure |
Chemische & physikalische Eigenschaften
| XLogP | -3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 177 |
| H-Brücken-Donoren | 7 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 403 |
| Schmelzpunkt | 184-186 °C |
| Siedepunkt | 449.56°C (rough estimate) |
| Dichte | 1.3580 (rough estimate) |
| Brechungsindex | -32 ° (C=1, H2O) |
| Lagerbedingungen | -20°C |
| Löslichkeit | 50 g/L (20°C)50 g/L (20 ºC) |
| pKa (Säurekonstante) | 2.41±0.54(Predicted) |
| Aggregatzustand | synthetic, crystalline |
| Farbe | White to Off-White |
| Biologische Quelle | synthetic |
| Merck | 14,8484 |
| BRN | 1716283 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. |
| Hauptanwendungen | food and beverages |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONINGSKIN PROTECTING |
| InChI | 1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1 |
| InChIKey | SQVRNKJHWKZAKO-PFQGKNLYSA-N |
| SMILES | O[C@@]1(O[C@@]([C@@H]([C@H](C1)O)NC(C)=O)([H])[C@@H]([C@@H](CO)O)O)C(O)=O |
| LogP (Verteilungskoeffizient) | -1.897 (est) |
| CAS Datenbank | 131-48-6(CAS DataBase Reference) |
| EPA chemische Informationen | Neuraminic acid, N-acetyl- (131-48-6) |
Sicherheit & Vorschriften
| Regulatorische Informationen | Neuraminic acid, N-acetyl-: Does not have an individual approval but may be used under an appropriate group standard |
|---|---|
| F | 3-10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29329970 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2 |
Anwendungen & Verwendung
Beschreibung
N-acetylneuraminic acid is an N-acyl derivative of neuraminic or acid amino sugar derivative, derived from N-acetylmannosamine and pyruvic acid. It is an important constituent of glycoproteins and glycolipids. N-acetylneuraminic acid occurs in many polysaccharides, glycoproteins, and glycolipids in animals and bacteria.