γ-Cyclodextrin - ≥98% , CAS No.17465-86-0

CAS: 17465-86-0 Cat. No.: C103968 Summenformel: C₄₈H₈₀O₄₀ Molekulargewicht: 1297.12 Beilstein Registry Number: 78740 EG-Nummer: 241-482-4

GRADE & PURITY ≥98%

Synonyms

C-9140 | Cyclooctapentylose | NCGC00256143-01 | gamma cyclodextrin | gamma -Cyclodextrin | DTXSID5047033 | GAMMA CYCLODEXTRIN [USP-RS] | Ins-458 | CHEBI:495056 | GAMMA-CYCLODEXTRIN [FCC] | gamma-Cyclodextrin, Produced by Wacker Chemie AG, Burghausen, Germ

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

C-9140 | Cyclooctapentylose | NCGC00256143-01 | gamma cyclodextrin | gamma -Cyclodextrin | DTXSID5047033 | GAMMA CYCLODEXTRIN [USP-RS] | Ins-458 | CHEBI:495056 | GAMMA-CYCLODEXTRIN [FCC] | gamma-Cyclodextrin, Produced by Wacker Chemie AG, Burghausen, Germ

Spezifikationen & Reinheit

≥98%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504763505

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763505

Kanonisches Lächeln

C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(O2)C(C9O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O

IUPAC Name

(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-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

InChIKey

GDSRMADSINPKSL-HSEONFRVSA-N

INCHI

1S/C48H80O40/c49-1-9-33-17(57)25(65)41(73-9)82-34-10(2-50)75-43(27(67)19(34)59)84-36-12(4-52)77-45(29(69)21(36)61)86-38-14(6-54)79-47(31(71)23(38)63)88-40-16(8-56)80-48(32(72)24(40)64)87-39-15(7-55)78-46(30(70)22(39)62)85-37-13(5-53)76-44(28(68)20(37)60)83-35-11(3-51)74-42(81-33)26(66)18(35)58/h9-72H,1-8H2/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m1/s1

Isomere SMILES

C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O2)[C@@H]([C@H]9O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O

WGK Deutschland

2

Molekulargewicht

1297.12

Beilstein

78740

Reaxy-Rn

5237049

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5237049&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Oligosaccharides
• Alternative Parents: Oxanes Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Oligosaccharide - Oxane - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Acetal - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.
• External Descriptors: cyclodextrin

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: 1 M NH4OH: 50 mg/mL
• Empfindlichkeit: Moisture sensitive
• Spezifische Drehung [α]: 178° (C=1,H2O)
• Schmelzpunkt (°C): 267°C
• Molekulargewicht: 1297.100 g/mol
• XLogP3: -17.200
• Hydrogen Bond Donor Count: 24
• Hydrogen Bond Acceptor Count: 40
• Rotatable Bond Count: 8
• Exact Mass: 1296.42 Da
• Monoisotopic Mass: 1296.42 Da
• Topological Polar Surface Area: 633.000 Ų
• Heavy Atom Count: 88
• Formal Charge: 0
• Complexity: 1720.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 40
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1