| Melting point |
177 °C |
| alpha |
D21 -135° (c = 0.38 in methanol) |
| Boiling point |
475.4±55.0 °C(Predicted) |
| Density |
1.73±0.1 g/cm3(Predicted) |
| refractive index |
-142 ° (C=1, MeOH) |
| Flash point |
9℃ |
| storage temp. |
2-8°C |
| solubility |
water: soluble10mg/mL, clear |
| form |
powder |
| pka |
13.83±0.10(Predicted) |
| color |
white to beige |
| Water Solubility |
70g/L(temperature not stated) |
| Merck |
14,5352 |
| BCS Class |
1,3 |
| Stability |
Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 1 month. |
| Major Application |
pharmaceutical (small molecule) |
| InChI |
1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1 |
| InChIKey |
JTEGQNOMFQHVDC-NKWVEPMBSA-N |
| SMILES |
NC1=NC(=O)N(C=C1)[C@@H]2CS[C@H](CO)O2 |
| CAS DataBase Reference |
134678-17-4(CAS DataBase Reference) |
| EPA Substance Registry System |
2(1H)-Pyrimidinone, 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]- (134678-17-4) |