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

CAS: 17465-86-0 Cat. No.: C103968 Fórmula: C₄₈H₈₀O₄₀ Peso molecular: 1297.12 Beilstein Registry Number: 78740 Número CE: 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

Sinónimos

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504763505
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763505
• Sorrisos canónicos: 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
• SMILES isoméricas: 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 Alemanha: 2
• Peso molecular: 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
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: 1 M NH4OH: 50 mg/mL
• Sensibilidade: Moisture sensitive
• Rotação específica [α]: 178° (C=1,H2O)
• Ponto de fusão (°C): 267°C
• Peso molecular: 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