Table 2.

NPA charge distributions of the neutrals and radical anions for the nucleoside-3′,5′-diphosphates

Component	Neutral	Anion	Δa
3′,5′-dADP
A	−0.263	−0.683	−0.42
Ribose	0.999	0.921	−0.08
5′-Phosphate	−0.363	−0.405	−0.04
3′-Phosphate	−0.372	−0.833	−0.46
3′,5′-dGDP
G	−0.266	−0.726	−0.46
Ribose	1.007	0.955	−0.05
5′-Phosphate	−0.369	−0.391	−0.02
3′-Phosphate	−0.372	−0.837	−0.46
3′,5′-dCDP
C	−0.287	−0.917	−0.63 (−0.86b; −0.82c)
Ribose	1.011	0.861	−0.15 (−0.10b; −0.17c)
5′-Phosphate	−0.366	−0.378	−0.01 (−0.01c)
3′-Phosphate	−0.358	−0.565	−0.21(−0.04b)
3′,5′-dTDP
T	−0.288	−0.919	−0.63 (−0.86b; −0.85c)
Ribose	1.008	0.938	−0.07 (−0.10b; −0.14c)
5′-Phosphate	−0.363	−0.371	−0.01 (−0.01c)
3′-Phosphate	−0.357	−0.647	−0.29 (−0.04b)

^aNPA charge difference between neutral and anionic species.

^bBased on the NPA analysis for 3′-dCMP and 3′-dTMP. References. (32,33) and this work.

^cBased on the NPA analysis for 5′-dCMP and 5′-dTMP. Reference (10).