(1S,3S,6S,8S,11S,13S,16S,18S,21S,23S,26S,28S,31S,33S,36S,38S)-5,10,15,20,25,30,35,40-octakis(chloromethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol
Grundinformationen
- CAS
173094-60-5- Standard-SMILES
OC1C(O)[C@@H]2O[C@H]3OC(CCl)[C@@H](O[C@H]4OC(CCl)[C@@H](O[C@H]5OC(CCl)[C@@H](O[C@H]6OC(CCl)[C@@H](O[C@H]7OC(CCl)[C@@H](O[C@H]8OC(CCl)[C@@H](O[C@H]9OC(CCl)[C@@H](O[C@H]1OC2CCl)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O- InChIKey
MTXQTQXMTUTSMG-WTELGHNJSA-N- Summenformel
- C48H72Cl8O32
- Durchschnittliche Molmasse
- 1.444,7 g/mol
- Monoisotopische Masse
- 1.440,151492
Namen und Bezeichner
- Bevorzugter Name
- (1S,3S,6S,8S,11S,13S,16S,18S,21S,23S,26S,28S,31S,33S,36S,38S)-5,10,15,20,25,30,35,40-octakis(chloromethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol
- IUPAC
- (1S,3S,6S,8S,11S,13S,16S,18S,21S,23S,26S,28S,31S,33S,36S,38S)-5,10,15,20,25,30,35,40-octakis(chloromethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol
- Englischer Name
- octakis(6-chloro-6-deoxy)-γ-cyclodextrin
- Summenformel
- C48H72Cl8O32
- Molmasse
- 1444.67
Namen und Synonyme
173094-60-5Org199074-1Sugammadex Impurity 28Sugammadex Sodium Impurity 14Sugammadex Sodium Impurity 28Per-6-chloro-gamma cyclodextrin6-Chloro-6-deoxy-gamma-cyclodextrin6-Perdeoxy-6-perchloro-γ-cyclodextrinoctakis(6-chloro-6-deoxy)-γ-cyclodextrinOctakis(6-chloro-6-deoxy)-γ-cyclodextrin6-Perdeoxy-6-perchloro-γ-cyclodextrin, >
Datenbank-Bezeichner
- CAS
173094-60-5- PubChem CID
- 169548415
- EC Number
- 973-850-1
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -7
- Polarare Oberfläche (TPSA)
- 471 Ų
- H-Brücken-Donoren
- 16
- H-Brücken-Akzeptoren
- 32
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 88
- Formalladung
- 0
- Komplexität
- 1.750
Physikochemische Eigenschaften
- Schmelzpunkt
- 234 °C · >234°C (dec.)
- Dichte
- 1.588 · 1.588±0.06 g/cm3(Predicted)
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- Löslichkeit
- Dimethylformamide (Sparingly, Sonicated), DMSO (Slightly)
- pka
- 11.6 · 11.60±0.70(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationREACH registered substance: 6-perdeoxy-6-perchloro-gamma-cyclodextrin (EC: 973-850-1)
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- hs_code
- 9999999999
Chemie und Industrie
Anwendungen
Verwenden6-Perdeoxy-6-perchloro-γ-cyclodextrin is useful reagent for preparation of bilayer vesicles of amphiphilic cyclodextrins as host membranes that recognize guest molecules such as adamantane via S-alkylation.
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