Table 2. NMR spectroscopic data* of dTDP-α-d-Quip3N V and of dTDP-α-d-Quip3NAc VI.
V
|
VI
|
|||||
---|---|---|---|---|---|---|
Atom | 1H (p.p.m.) | J, [Jhet] (Hz) | 13C (p.p.m.) | 1H (p.p.m.) | J, [Jhet] (Hz) | 13C (p.p.m.) |
1″ | 5.58 | 3.5/[7.4] | 95.00 | 5.56 | 3.4/[7.0] | 95.32 |
2″ | 3.78 | [3.4] | 69.57 | 3.60 | [3.0] | 70.85 |
3″ | 3.42 | 10.0 | 56.04 | 4.04 | 10.5 | 54.62 |
4″ | 3.35 | 9.2 | 72.01 | 3.17 | 9.8 | 74.28 |
5″ | 4.01 | 6.4 | 69.73 | 4.02 | 6.2 | 70.39 |
6″ | 1.28 | – | 17.16 | 1.26 | – | 17.12 |
NH(Ac) | 2.05 | 22.45 | ||||
1′ | 6.34 | 7.0 | 85.83 | 6.33 | 7.2 | 85.65 |
2a′/2′b | 2.39/2.35 | 7.0 | 39.38 | 2.39/2.34 | 7.2 | 38.92 |
3′ | 4.62 | n.d.† | 71.79 | 4.63 | n.d. | 71.94 |
4′ | 4.17 | n.d. | 86.03 | 4.18 | n.d. | 86.06 |
5a′/5′b | 4.17/4.15 | n.d. | 66.27 | 4.17 | n.d. | 66.09 |
2 | 152.55 | n.d. | ||||
4 | 167.38 | n.d. | ||||
5 | 112.53 | n.d. | ||||
6 | 7.72 | n.d. | 138.15 | 7.72 | 1.2 | 138.37 |
Me | 1.92 | – | 12.44 | 1.92 | – | 12.01 |
Spectra were recorded at 300 K for solutions in 2H2O at pD 7.4.
n.d., not determined.