Linked Life Data

17472355

Source:http://linkedlifedata.com/resource/pubmed/id/17472355

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
20
pubmed:dateCreated
2007-5-17
pubmed:abstractText
Geometry optimizations at the B3LYP level of density functional theory (DFT) are reported for methyl 4-O-acetyl-3-azido- and 3-azido-4-O-methylsulfonyl-2,3,6-trideoxy-alpha,beta-d-threo- and -beta-d-erythro-hex-5-enopyranosides. The most stable conformers for each compound are presented, along with the corresponding enthalpies and Gibbs free energies. The influence of the exocyclic double bond on the chair conformation is discussed. Conformations of the 1-OMe, 3-N3, and 4-OAc groups were examined, and delocalization in the OAc and N3 groups was demonstrated. The contributions of particular conformers to the total number of structures found for each hex-5-enopyranoside were calculated. The theoretical results are compared with assignments based on 1H NMR studies.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
May
pubmed:issn
1089-5639
pubmed:author
pubmed:issnType
Print
pubmed:day
24
pubmed:volume
111
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
4397-403
pubmed:meshHeading
pubmed:year
2007
pubmed:articleTitle
Methyl 4-O-acetyl-3-azido- and 3-azido-4-O-methylsulfonyl-2,3,6,-trideoxyhex-5- enopyranosides in DFT-level conformational studies.
pubmed:affiliation
Faculty of Chemistry, University of Gda?sk, Sobieskiego 18, PL-80-952 Gda?sk, Poland.
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't