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1,2:3,4-di-O-isopropyliden-D-galaktopyranose
DIACETONE-D-GALACTOSE · 1,2:3,4-Di-O-isopropylidene-α-D-galactopyranose · 1,2,3,4-DI-O-ISOPROPYLIDENE-D-GALACTOPYRANOSE · 1,2:3,4-DI-O-ISOPROPYLIDENE-A-D-GALACTOPYRANOSE · NSC 89756 · 1,2:3,4-Di-O-isoprop · DIACETONE-ALPHA-D-GAL · diisopropylidene-Gal-OH
Identifikatoren & physikalische Daten
| CAS No. | 4064-06-6 |
|---|---|
| Summenformel | C12H20O6 |
| Durchschnittliche Molmasse | 260,28 g/mol |
| Monoisotopische Masse | 260,12598835 g/mol |
| SMILES | CC1(C)OC2OC(CO)C3OC(C)(C)OC3C2O1 |
| InChIKey | POORJMIIHXHXAV-UHFFFAOYSA-N |
| PubChem CID | 19984 |
| Lokaler Name | 1,2:3,4-di-O-isopropyliden-D-galaktopyranose |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 341 |
| Schmelzpunkt | 120-122 °C |
| Siedepunkt | 117 °C/0.015 mmHg (lit.) |
| Dichte | 1.143 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.466(lit.) |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Soluble in Acetone, Chloroform and Methanol. |
| Aggregatzustand | Viscous Paste |
| pKa (Säurekonstante) | 14.00±0.10(Predicted) |
| Farbe | Clear pale yellow to yellow |
| BRN | 1345410 |
| InChI | InChI=1/C12H20O6/c1-11(2)15-7-6(5-13)14-10-9(8(7)16-11)17-12(3,4)18-10/h6-10,13H,5H2,1-4H3/t6-,7+,8+,9-,10-/s3 |
| InChIKey | POORJMIIHXHXAV-DPMQDVBJNA-N |
| SMILES | [C@H]12OC(C)(C)O[C@H]1[C@H](O[C@@H]1OC(C)(C)O[C@H]21)CO |&1:0,6,7,9,15,r| |
| CAS Datenbank | 4064-06-6(CAS DataBase Reference) |
| NIST chemische Informationen | Galactopyranose, 1,2:3,4-di-o-isopropylidene-, d-(4064-06-6) |
Sicherheit & Vorschriften
| F | 3-9-21 |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29400090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-36/37-26 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Diacetone-D-galactose is used to produce diacetone-d-galacturonic acid and oxalic acid. It is mainly used in biochemical reaction and used as medicine intermediate.