Conformational analysis in carbohydrate chemistry. III. The 13C N.M.R. spectra of the hexuloses

1976 ◽  
Vol 29 (6) ◽  
pp. 1249 ◽  
Author(s):  
SJ Angyal ◽  
GS Bethell
Keyword(s):  
Aqueous Solution ◽  
Conformational Analysis ◽  
Carbohydrate Chemistry ◽  
Related Compounds

All the resonances have been assigned in the 13C N.M.R. spectra of the hexuloses and some of their derivatives by the use of specifically deuterated compounds and comparison with related compounds. The composition of the hexuloses at equilibrium in aqueous solution has been determined and is discussed in terms of conformational analysis. The synthesis of D-fructose[l-D], D-fructose[3-D] and D-fructose[4-D] is described.

Conformational analysis in carbohydrate chemistry. I. Conformational free energies. The conformations and α : β ratios of aldopyranoses in aqueous solution

1968 ◽  
Vol 21 (11) ◽  
pp. 2737 ◽  
Author(s):  
SJ Angyal
Keyword(s):  
Aqueous Solution ◽  
Free Energy ◽  
Conformational Analysis ◽  
Reasonable Agreement ◽  
Anomeric Effect ◽  
Interaction Energies ◽  
Free Energies ◽  
Carbohydrate Chemistry ◽  
Predominant Conformation

The relative free energies of the aldopyranoses in aqueous solution have been calculated, taking non-bonded interaction energies and the anomeric effect into account. It is shown that the calculated free-energy values correctly predict the predominant conformation of the α- and β-pyranose forms of each aldose. The α- to β-pyranose ratios of the aldoses in aqueous solution, calculated from these values, are in reasonable agreement with those determined experimentally.

Theoretical Conformational Analysis for Neurotransmitters in the Gas Phase and in Aqueous Solution. Serotonin

2005 ◽  
Vol 1 (5) ◽  
pp. 801-816 ◽  
Author(s):  
Giuliano Alagona ◽  
Caterina Ghio ◽  
Peter I. Nagy
Keyword(s):  
Aqueous Solution ◽  
Conformational Analysis ◽  
Gas Phase ◽  
Theoretical Conformational Analysis

ChemInform Abstract: Analogues of Cytostatic, Fused Indazolinones: Synthesis, Conformational Analysis and Cytostatic Activity Against HeLa Cells of Some 1-Substituted Indazolols, 2-Substituted Indazolinones, and Related Compounds.

ChemInform ◽  
2010 ◽  
Vol 27 (38) ◽  
pp. no-no
Author(s):  
V. J. ARAN ◽  
M. FLORES ◽  
P. MUNOZ ◽  
J. A. PAEZ ◽  
P. SANCHEZ-VERDU ◽  
...  
Keyword(s):  
Conformational Analysis ◽  
Hela Cells ◽  
Cytostatic Activity ◽  
Related Compounds

Conformational analysis of the core unit of crownophanes by ab initio calculations: 1,1-dibenzylethylene and related compounds

2000 ◽  
pp. 2448-2452 ◽  
Author(s):  
Seiji Tsuzuki ◽  
Hirohiko Houjou ◽  
Yoshinobu Nagawa ◽  
Kazuhisa Hiratani
Keyword(s):  
Conformational Analysis ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
The Core ◽  
Related Compounds

ChemInform Abstract: CONFORMATIONAL ANALYSIS IN CARBOHYDRATE CHEMISTRY. V. FORMATION OF GLYCOSIDIC C ANHYDRIDES FROM HEPTOSES

1981 ◽  
Vol 12 (25) ◽  
Author(s):  
S. J. ANGYAL ◽  
TRUNG QUANG TRAN TRUNG QUANG TRAN
Keyword(s):  
Conformational Analysis ◽  
Carbohydrate Chemistry

Reduction of Benzene and Related Compounds in Aqueous Solution and Undivided Cells

1981 ◽  
Vol 128 (2) ◽  
pp. 322-326 ◽  
Author(s):  
J. P. Coleman ◽  
J. H. Wagenknecht
Keyword(s):  
Aqueous Solution ◽  
Related Compounds

ChemInform Abstract: 1H NMR Chemical Shifts of Hydroxy Protons in Conformational Analysis of Disaccharides in Aqueous Solution.

ChemInform ◽  
2001 ◽  
Vol 32 (4) ◽  
pp. no-no
Author(s):  
Ianric Ivarsson ◽  
Corine Sandstroem ◽  
Anders Sandstroem ◽  
Lennart Kenne
Keyword(s):  
Aqueous Solution ◽  
Conformational Analysis ◽  
1H Nmr ◽  
Chemical Shifts ◽  
Nmr Chemical Shifts
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