N,N-dimethyl-5-methoxymethyl-2'-deoxycytidine.
In the title compound, C13H21N3O5, the pyrimidine ring adopts the antiperiplanar (-ap) conformation [chi = 193.54 (19) degrees]. The deoxyribose sugar ring has the C2'-exo-C3'-endo (2T3) twist conformation. The pseudo-rotational parameters of the deoxyribose sugar ring are P = 6.83 (2) degrees and Tm = 38.27 (2) degrees. The exocyclic side chain at C5' has the g+ conformation [gamma = 47.7 (3) degrees]. The 5-methoxymethyl group is distal to the deoxyribose sugar ring, with a C6-C5-C52-O52 torsion angle of -91.9 (3) degrees.
Audette
G F
GF
Department of Biochemistry, University of Saskatchewan, Saskatoon, Canada.
Zoghaib
W M
WM
Gupta
S V
SV
Quail
J W
JW
Delbaere
L T
LT
D018360:Crystallography, X-Ray; D003841:Deoxycytidine / Q000031:analogs & derivatives* / Q000737:chemistry; D006860:Hydrogen Bonding; D008958:Models, Molecular
C119044:N,N-dimethyl-5-methoxymethyl-2'-deoxycytidine; D003841:Deoxycytidine