| SpectraBase Compound ID | 5g2FHNg9GPc |
|---|---|
| InChI | InChI=1S/C11H15N5O5/c12-9-5-10(14-2-13-9)15-3-16(5)11-8(20)7(19)6(18)4(1-17)21-11/h2-4,6-8,11,17-20H,1H2,(H2,12,13,14) |
| InChIKey | XUYFVVAJTYDERT-UHFFFAOYSA-N |
| Mol Weight | 297.27 g/mol |
| Molecular Formula | C11H15N5O5 |
| Exact Mass | 297.107319 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 32ECBydtNTx |
|---|---|
| Name | 2-(6-Amino-7-purinyl)-6-(hydroxymethyl)oxane-3,4,5-triol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.107318598 u |
| Formula | C11H15N5O5 |
| InChI | InChI=1S/C11H15N5O5/c12-9-5-10(14-2-13-9)15-3-16(5)11-8(20)7(19)6(18)4(1-17)21-11/h2-4,6-8,11,17-20H,1H2,(H2,12,13,14) |
| InChIKey | XUYFVVAJTYDERT-UHFFFAOYSA-N |
| SMILES | C1(N)=C2C(N=CN2C2OC(CO)C(O)C(C2O)O)=NC=N1 |