| Melting point |
127-129 °C(lit.) |
| alpha |
34 º (C=0.4 IN H2O) |
| Density |
1.397±0.06 g/cm3(Predicted) |
| storage temp. |
Sealed in dry,2-8°C |
| solubility |
DMF: 10 mg/ml; DMSO: 10 mg/ml; Ethanol: Slightly soluble; PBS (pH 7.2): 5 mg/ml |
| form |
A solid |
| pka |
9.39±0.10(Predicted) |
| color |
White to off-white |
| optical activity |
[α]20/D +34°, c = 0.4 in H2O |
| BRN |
750592 |
| InChI |
InChI=1S/C9H12N2O4/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14/h3-4,6,8,12H,1-2,5H2,(H,10,13,14)/t6-,8+/m0/s1 |
| InChIKey |
BTOTXLJHDSNXMW-POYBYMJQSA-N |
| SMILES |
OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)CC1 |
| CAS DataBase Reference |
5983-09-5(CAS DataBase Reference) |
| UNSPSC Code |
12352100 |
| NACRES |
NA.22 |
