2,6-diamino-5-(beta-D-glucopyranosyloxy)-(1H)-pyrimidin-4-one
- Product Name2,6-diamino-5-(beta-D-glucopyranosyloxy)-(1H)-pyrimidin-4-one
- CAS152-93-2
- MFC10H16N4O7
- MW304.26
- EINECS205-809-4
- MOL File152-93-2.mol
Chemical Properties
| Melting point | 242-244℃ |
| alpha | D26 -11.7° (c = 3.9 in 0.2N NaOH) |
| Boiling point | 445.09°C (rough estimate) |
| Density | 2.18 |
| refractive index | 1.6200 (estimate) |
| solubility | Aqueous Base (Slightly), DMSO (Slightly), Methanol (Slightly, Heated, Sonicated) |
| pka | 9.56±0.50(Predicted) |
| form | Solid |
| color | White to off-white |
| BRN | 44407 |
| Stability | Hygroscopic |
| InChI | 1S/C10H16N4O7/c11-7-6(8(19)14-10(12)13-7)21-9-5(18)4(17)3(16)2(1-15)20-9/h2-5,9,15-18H,1H2,(H5,11,12,13,14,19)/t2-,3-,4+,5-,9+/m1/s1 |
| InChIKey | KGNGTSCIQCLKEH-SYCVNHKBSA-N |
| SMILES | O[C@@H]1[C@@H](O)[C@H](OC2=C(N)NC(N)=NC2=O)O[C@H](CO)[C@H]1O |
Safety Information
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |
