![7H-Pyrrolo[2,3-D]pyrimidin-4-amine, 7-[2-o-(methylsulfonyl)-.beta.-D-xylofuranosyl]-](/api/spectrum/Cg7KQBwYEPh/structure.png?h=300&w=458 "7H-Pyrrolo[2,3-D]pyrimidin-4-amine, 7-[2-o-(methylsulfonyl)-.beta.-D-xylofuranosyl]-")
| SpectraBase Compound ID | lIYEbLPG52 |
|---|---|
| InChI | InChI=1S/C12H16N4O6S/c1-23(19,20)22-9-8(18)7(4-17)21-12(9)16-3-2-6-10(13)14-5-15-11(6)16/h2-3,5,7-9,12,17-18H,4H2,1H3,(H2,13,14,15)/t7-,8+,9-,12-/m1/s1 |
| InChIKey | QYWCANHRLAEWQV-JXVAYASWSA-N |
| Mol Weight | 344.34 g/mol |
| Molecular Formula | C12H16N4O6S |
| Exact Mass | 344.079055 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Cg7KQBwYEPh |
|---|---|
| Name | 7H-Pyrrolo[2,3-D]pyrimidin-4-amine, 7-[2-o-(methylsulfonyl)-.beta.-D-xylofuranosyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.079055419 u |
| Formula | C12H16N4O6S |
| InChI | InChI=1S/C12H16N4O6S/c1-23(19,20)22-9-8(18)7(4-17)21-12(9)16-3-2-6-10(13)14-5-15-11(6)16/h2-3,5,7-9,12,17-18H,4H2,1H3,(H2,13,14,15)/t7-,8+,9-,12-/m1/s1 |
| InChIKey | QYWCANHRLAEWQV-JXVAYASWSA-N |
| Molecular Weight | 344.342 g/mol |
| SMILES | [C@@]1(N2C=3C(=C(N)N=CN3)C=C2)([C@@]([C@@](O)([C@](O1)(CO)[H])[H])(OS(=O)(=O)C)[H])[H] |