| Melting point |
276-280°C |
| alpha |
D +21° (c = 1 in 0.1M HCl) |
| Boiling point |
616.1±65.0 °C(Predicted) |
| Density |
1.79±0.1 g/cm3(Predicted) |
| storage temp. |
-20°C |
| solubility |
Aqueous Acid (Sparingly), DMSO (Slightly, Heated), Water (Slightly, Heated) |
| pka |
2.36±0.10(Predicted) |
| form |
powder |
| color |
white to beige |
| optical activity |
[α]/D -20 to -26°, c = 0.5 in 1 M HCl |
| Water Solubility |
13.4 mg/mL (25 ºC) |
| Merck |
14,9146 |
| InChI |
InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1 |
| InChIKey |
SGOIRFVFHAKUTI-ZCFIWIBFSA-N |
| SMILES |
P(CO[C@H](C)CN1C2C(N=C1)=C(N)N=CN=2)(=O)(O)O |
| CAS DataBase Reference |
147127-20-6(CAS DataBase Reference) |
