TUD Organische ChemieImmelGraphicsGalleryAnhydro CyclodextrinsView or Print this frame onlyView or Print (this frame only)

Top of Page 3I,2II-Anhydro-α-Cyclodextrin
Comparison of different conformers of 3I,2II-Anhydro-α-cyclodextrins (all CHARMM structures).

Conformer 1 Conformer 2 Conformer 3
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sld ell seg sld ell seg sld ell seg
2,3-Anhydro-α-Cyclodextrin (Precursor)
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sld ell seg

For details see:

Molecular Modeling of Saccharides, Part XXX. Two Stereoisomeric 3I,2II-Anhydro-α-cyclodextrins: A Molecular Dynamics and Crystallographic Study. S. Immel, K. Fujita, M. Fukudome, and M. Bolte, Carbohydr. Res. 2001, 336, 297-308.
Abstract / Fulltext PDF
Top of Page Per-2,3-Anhydro-α-Cyclodextrin
Solid-state structures of the per-2,3-anhydro-α-cyclodextrin inclusion complexes with ethanol and n-propanol (all X-ray structures).

Per-2,3-Anhydro-α-Cyclodextrin Ethanol Inclusion Complex
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mod1 mod2 cpk1 cpk2 bal1 bal2 ell1 ell2 lay1 lay2
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mlp1b mlp2b mlp3b mlp4b mlp5b mlp6b mlp1bb
Per-2,3-Anhydro-α-Cyclodextrin n-Propanol Inclusion Complex
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mod1 mod2 cpk1 cpk2 bal1 bal2 ell1 ell2 lay1 lay2
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mlp1b mlp2b mlp3b mlp4b mlp5b mlp6b mlp1bb

For details see:

Molecular Modeling of Saccharides, Part XXV. Structure and Lipophilicity Profile of 2,3-Anhydro-α-Cyclomannin and its Ethanol Inclusion Complex. S. Immel, K. Fujita, H. J. Lindner, Y. Nogami, and F. W. Lichtenthaler, Chem. Eur. J. 2000, 6, 2327-2333.
Abstract / Fulltext PDF

Molecular Modeling of Saccharides, Part XXVI. The 2,3-Anhydro-α-Cyclomannin - 1-Propanol Hexahydrate: Topography, Lipophilicity Pattern, and Solid-state Architecture. S. Immel, F. W. Lichtenthaler, H. J. Lindner, K. Fujita, M. Fukudome, and Y. Nogami, Tetrahedron: Asymmetry 2000, 11, 27-36.
Abstract / Fulltext PDF
Top of Page Per-2,3- and Per-3,6-anhydro Cyclodextrins
The per-2,3-anhydro-cyclodextrins with five (left side each) and six glucose units (right side) are compared to the per-3,6-anhydro-cyclodextrins of the same ring size (PIMM91 structures throughout).

Per-2,3-anhydro-α-Cyclomannin
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sld mlp1 mlp3 mlp2 mlp4 mlp5 mlp6
Per-3,6-anhydro-α-Cyclodextrin
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sld mlp1 mlp3 mlp2 mlp4 mlp5 mlp6

Image Notes
sld Dreiding models and molecular Surfaces in dotted form
mlp1 View on the 2-OH and 3-OH side of the torus
mlp2 View on the 2-OH and 3-OH side, half opened models
mlp3 View on the 6-CH2OH side
mlp4 View on the 6-CH2OH side, half opened models
mlp5 Side view models with all 2-OH and 3-OH groups pointing up, and the 6-CH2OH groups pointing down
mlp6 View as in "*mlp5", with a different depth of slice through the surface

© Copyright PD Dr. S. Immel

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