51707

Heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin

≥98.0%

• Synonym(e): 2,3,6-Tri-O-methyl-β-cyclodextrin
• Empirische Formel (Hill-System): C₆₃H₁₁₂O₃₅
• CAS-Nummer: 55216-11-0
• Molekulargewicht: 1429.54
• UNSPSC Code: 12352005
• NACRES: NA.22
• PubChem Substance ID: 329757734
• MDL number: MFCD00010728
• Beilstein/REAXYS Number: 78748

Eigenschaften

• Quality Segment: 100
• assay: ≥98.0% (TLC), ≥98.0%
• form: powder or crystals
• optical activity: [α]25/D +157±4°, c = 1% in H₂O
• mp: 170-178 °C (lit.)
• solubility: H₂O: 50 mg/mL, slightly turbid, colorless
• functional group: ether
• storage temp.: 2-8°C
• SMILES string: COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](COC)O[C@H](O[C@@H]4[C@@H](COC)O[C@H](O[C@@H]5[C@@H](COC)O[C@H](O[C@@H]6[C@@H](COC)O[C@H](O[C@@H]7[C@@H](COC)O[C@H](O[C@@H]8[C@@H](COC)O[C@H](O[C@H]1[C@H](OC)[C@H]2OC)[C@H](OC)[C@H]8OC)[C@H](OC)[C@H]7OC)[C@H](OC)[C@H]6OC)[C@H](OC)[C@H]5OC)[C@H](OC)[C@H]4OC)[C@H](OC)[C@H]3OC
• InChI: 1S/C63H112O35/c1-64-22-29-36-43(71-8)50(78-15)57(85-29)93-37-30(23-65-2)87-59(52(80-17)44(37)72-9)95-39-32(25-67-4)89-61(54(82-19)46(39)74-11)97-41-34(27-69-6)91-63(56(84-21)48(41)76-13)98-42-35(28-70-7)90-62(55(83-20)49(42)77-14)96-40-33(26-68-5)88-60(53(81-18)47(40)75-12)94-38-31(24-66-3)86-58(92-36)51(79-16)45(38)73-10/h29-63H,22-28H2,1-21H3/t29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43+,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m1/s1
• InChI key: DSDAICPXUXPBCC-MWDJDSKUSA-N

Beschreibung

General description

Heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin is a β-cyclodextrin derivative that finds potential use in pharmaceutical, food and cosmetic applications. Its attractive features include: the non-polar cavity desirable for its use as a molecular host for a wide range of molecules and its affinity for organic compounds in solution as well as crystalline phases.

Application

Chirales Additiv für Entantiomertrennung in der Flüssigchromatographie. Chirale Trennung von basischen Wirkstoff-Verbindungen durch Kapillarelektrophorese.

Heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin may be used:

• To investigate the crystal structure of its complexes with m-iodophenol, 4-biphenylacetic acid and (R)- and (S)-flurbiprofen by X-ray analysis.
• To study the candidature of its complex with vitamin A for potential application as a drug delivery system for ophthalmic applications by high sensitivity fluorescence spectrometry and high pressure liquid chromatography (HPLC).
• In the determination of analyte composition in commercial samples by HPLC coupled to mass spectrometry (MS).[1]

Sicherheitshinweise

• Lagerklasse: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)