HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(2R,3S,4R,5R,6R)-5-Acetamido-2-(acetoxymethyl)-6-(dodecyloxy)tetrahydro-2H-pyran-3,4-diyl diacetate
Dodecyl2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-b-D-glucopyranoside · Dodecyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside · DODECYL 2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-SS-D-GLUCOPYRANOSIDE · Dodecyl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside · b-D-Glucopyranoside, dodecyl2-(acetylamino)-2-deoxy-, 3,4,6-triacetate · Dodecyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside 3,4,6-triacetate · β-D-Glucopyranoside, dodecyl 2-(acetylamino)-2-deoxy-, 3,4,6-triacetate · DODECYL 2-ACETAMIDO-3,4,6-TRI-O-ACETYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE USP/EP/BP
Identifikatoren & physikalische Daten
| CAS No. | 211567-22-5 |
|---|---|
| Summenformel | C26H45NO9 |
| Durchschnittliche Molmasse | 515,6 g/mol |
| Monoisotopische Masse | 515,30943201 g/mol |
| SMILES | CCCCCCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O |
| InChIKey | PIEYYMFAQMSYFF-ZFXZZAOISA-N |
| PubChem CID | 16396339 |
| DTXSID | DTXSID101152067 |
Chemische & physikalische Eigenschaften
| XLogP | 4,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 126 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 20 |
| Schwere Atome | 36 |
| Formalladung | 0 |
| Komplexität | 684 |
| Schmelzpunkt | 103-105℃ (ethyl ether ) |
| Siedepunkt | 616.7±55.0 °C(Predicted) |
| Dichte | 1.11±0.1 g/cm3(Predicted) |
| pKa (Säurekonstante) | 13.61±0.70(Predicted) |