TY - JOUR
T1 - Conformation of 3-substituted purine nucleoside studied by x-ray crystallography and theoretical calculations
AU - Yamagata, Y.
AU - Kato, M.
AU - Fujii, S.
AU - Aoyagi, M.
AU - Minakawa, N.
AU - Matsuda, A.
PY - 1994/7/1
Y1 - 1994/7/1
N2 - In the crystal state the molecule has the high anti conformation about the glycosidic bond with the torsion angle of -79°. The sugar ring is puckered with C(1 ‘)-exo, G(2')-endo, and the conformation about the C(4?)—C(5’) bond is gauche—trans. The quantum chemical calculations show that the lowest energy conformation about the glycosidic bond of 3—methyl-3—deazainosine is anti shifted to high anti, whereas in inosine the syn conformation is stable as well as the anti conformation. The molecular conformation of 3—methyl-3—deazainosine has been investigated by X-ray crystallographic and theoretical studies.
AB - In the crystal state the molecule has the high anti conformation about the glycosidic bond with the torsion angle of -79°. The sugar ring is puckered with C(1 ‘)-exo, G(2')-endo, and the conformation about the C(4?)—C(5’) bond is gauche—trans. The quantum chemical calculations show that the lowest energy conformation about the glycosidic bond of 3—methyl-3—deazainosine is anti shifted to high anti, whereas in inosine the syn conformation is stable as well as the anti conformation. The molecular conformation of 3—methyl-3—deazainosine has been investigated by X-ray crystallographic and theoretical studies.
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U2 - 10.1080/15257779408012155
DO - 10.1080/15257779408012155
M3 - Article
AN - SCOPUS:0028206326
SN - 0732-8311
VL - 13
SP - 1327
EP - 1335
JO - Nucleosides and Nucleotides
JF - Nucleosides and Nucleotides
IS - 6-7
ER -