Compound

DO3A-ABB-α

(Neutral)

DO3A-ABB-α

(Acidic)

DO3A-ABB-α

(Basic)

DO3A-UO2 (VI) ABB-α

(Neutral)

DO3A-UO2 (VI) ABB-α

(Acidic)

DO3A-UO2 (VI) ABB-α

(Basic)

N1

−0.44

−0.07

−0.49

−0.52

−0.53

−0.52

N2

−0.66

−0.48

−0.38

−0.50

−0.51

−0.50

N3

−0.32

−0.02

−0.38

−0.53

−0.53

−0.50

N4

−0.07

−0.21

0.05

−0.52

−0.51

−0.50

C5

−0.06

0.57

0.05

−0.30

−0.28

−0.30

N6

−0.47

−0.27

−0.47

−0.75

−0.82

−0.73

C7

1.05

0.78

0.06

0.20

0.12

0.70

N8

−0.66

−0.63

−0.66

−0.74

−0.68

−0.76

N9

−0.45

−0.30

−0.45

−0.53

−0.47

−0.53

C10

−0.25

0.41

−0.27

−0.20

−0.20

−0.18

C11

−0.19

0.12

−0.20

−0.20

−0.18

−0.19

C12

−0.36

0.18

−0.53

−0.29

−0.82

−0.30

C13

0.55

0.54

0.69

0.63

0.64

0.55

C14

0.19

0.32

0.06

0.62

0.62

0.62

B

1.04

1.07

1.10

0.50

0.50

0.50

U

-

-

-

1.81

1.81

1.62