(1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R)-5,10,15,20,25,30,35-heptakis(azidomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol

HCID 178955088

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Grundinformationen

CAS: 53958-47-7
Standard-SMILES: [N-]=[N+]=NCC1O[C@@H]2O[C@@H]3C(CN=[N+]=[N-])O[C@H](O[C@@H]4C(CN=[N+]=[N-])O[C@H](O[C@@H]5C(CN=[N+]=[N-])O[C@@H](O[C@@H]6C(CN=[N+]=[N-])O[C@H](O[C@@H]7C(CN=[N+]=[N-])O[C@H](O[C@@H]8C(CN=[N+]=[N-])O[C@H](O[C@H]1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O
InChIKey: OLPQEMQLAVINTB-PVYQGTNRSA-N
Summenformel: C42H63N21O28
Durchschnittliche Molmasse: 1.310,1 g/mol

Namen und Bezeichner

Bevorzugter Name: (1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R)-5,10,15,20,25,30,35-heptakis(azidomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
IUPAC: (1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R)-5,10,15,20,25,30,35-heptakis(azidomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
Englischer Name: Heptakis-6-azido-6-deoxy-beta-cyclodextrin, 1:1 DMF complex, 95
Summenformel: C42H63N21O28
Molmasse: 1310.07352

Namen und Synonyme

53958-47-7(1S,3R,6S,8S,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R)-5,10,15,20,25,30,35-Heptakis(azidomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol(1S,3R,6S,8R,11S,13S,16S,18R,21S,23R,26S,28R,31S,33R)-5,10,15,20,25,30,35-heptakis(azidomethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecolHeptakis-(6-azido-6-deoxy)-beta-cyclodextrin1 DMF COMPLEX, 95Per-6-azide-6-deoxy-beta-cyclodextrinHeptakis-(6-azido-6-deoxy)-β-cyclodextrinHeptakis-(6-azido-6-deoxy)-β-cyclodextrin?NewHEPTAKIS-6-AZIDO-6-DEOXY-BETA-CYCLODEXTRIN, 1Heptakis-6-azido-6-deoxy-beta-cyclodextrin,1:1 DMF complexHEPTAKIS-6-AZIDO-6-DEOXY-BETA-CYCLODEXTRIN 1:1 DMF COMPLEX 95%Heptakis-6-azido-6-deoxy-beta-cyclodextrin, 1:1 DMF complex, 95

Weitere Namen anzeigen

HEPTAKIS-6-(DIMETHYL-TERT-BUTYLSILYL)-BETA-CYCLODEXTRIN 1:1 DMF COMPLEX 95%b-Cyclodextrin,6A,6B,6C,6D,6E,6F,6G-heptaazido-6A,6B,6C,6D,6E,6F,6G-heptadeoxy

Datenbank-Bezeichner

CAS: 53958-47-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -3,9
Polarare Oberfläche (TPSA): 513 Å²
H-Brücken-Donoren: 14
H-Brücken-Akzeptoren: 42
Frei drehbare Bindungen: 14
Schwere Atome: 91
Formalladung: 0
Komplexität: 2.290

Physikochemische Eigenschaften

Schmelzpunkt: 240 °C · 240°C
Siedepunkt: 944.25 °C · 944.25°C (rough estimate)
Dichte: 1.37 · 1.3700 (rough estimate)
Brechungsindex: 1.62 · 1.6200 (estimate)
Löslichkeit: Soluble in DMF, DMSO.Insoluble in water, methanol, chloroform.
Aggregatzustand: Solid powder
Farbe: Off-white

Chemie und Industrie

Anwendungen

VerwendenHeptakis-(6-azido-6-deoxy)-beta-cyclodextrin is an useful reactant for preparation for cyclodextrin amino acid derivatives.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Heptakis-6-iodo-6-deoxy-beta-cyclodextrin Heptakis-6-bromo-6-deoxy-beta-cyclodextrin Cycloheptapentylose

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