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| IUPAC Name: | (2R,3R,4S,5R)-2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol |
| Description: | It is a nucleoside analogue as an inhibitor or substrate of adenosine kinase from M. tuberculosis. |
| Molecular Weight: | 282.26 |
| Molecular Formula: | C10H14N6O4 |
| Canonical SMILES: | C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)N |
| InChI: | InChI=1S/C10H14N6O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H4,11,12,14,15)/t3-,5-,6-,9-/m1/s1 |
| InChI Key: | ZDTFMPXQUSBYRL-UUOKFMHZSA-N |
| Boiling Point: | 798.5±70.0 °C at 760 mmHg |
| Melting Point: | 241-243 °C (dec.) |
| Purity: | ≥95% |
| Density: | 2.25±0.1 g/cm3 (Predicted) |
| Solubility: | Soluble in Aqueous Acid (Slightly, Heated, Sonicated), DMSO (Slightly, Sonicated), Ethanol |
| Appearance: | White to off-white solid |
| Storage: | Store at 2-8 °C |
| MDL: | MFCD00053556 |
| LogP: | -1.23540 |
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