TABLE 1.
Summary of the proton chemical shifts and multiplet structures for the hexose ring of UDP-d-QuiNAc and UDP-2-acetamido-2,6-dideoxy-d-xylo-4-hexulose at 30 °C
Standard deviation of the chemical shift values is on the order of 0.004 ppm (as reported by Sparky). Accuracy of J coupling constant estimates is ±0.2 Hz for UDP-d-QuiNAc and ±0.6 Hz for UDP-2-acetamido-2,6-dideoxy-d-xylo-4-hexulose.
| Compound | Proton | Chemical shift | Multiplet structure | J coupling constants |
|---|---|---|---|---|
| ppm | Hz | |||
| UDP-d-QuiNAc | H1 | 5.422 | 1:1:1:1 quadruplet | 3JH1,H2 = 3.6 |
| 3JH1,P = 7.2 | ||||
| H2 | 3.978 | Unresolved overlapped multiplet | ||
| H3 | 3.723 | 1:2:1 triplet | 3JH3,H4 = 9.8 | |
| 3JH2,H3 = 9.8 | ||||
| H4 | 3.231 | 1:2:1 triplet | 3JH3,H4 = 9.3 | |
| 3JH4,H5 = 9.3 | ||||
| H5 | 3.977 | Unresolved overlapped multiplet | ||
| H6 | 1.271 | 1:1 doublet | 3JH6,H5 = 6.0 | |
| UDP-2-acetamido-2,6-dideoxy-d-xylo-4-hexulosea | H1 | 5.433 | Poorly resolved multiplet | |
| H2 | 4.091 | Unresolved overlapped multiplet | 3JH3,H2 = 10.8 | |
| H3 | 3.803 | Doublet | ||
| H5 | 4.091 | Unresolved overlapped multiplet | ||
| H6 | 1.218 | Doublet | 3JH6,H5 = 5.4 |
a Due to a lower concentration of the latter sample, the spectral quality did not allow confident measurement of the smaller 3J coupling constants at H1 position.