28309-53-7
| Name | 2α-(Acetoxymethyl)-3β-(acetoxy)-2,3,3aβ,8bβ-tetrahydro-6H-4-oxa-5,8a-diaza-4H-indeno[1,2-b]furan-6-one |
| CAS | 28309-53-7 |
| Molecular Formula | C13H14N2O7 |
| Molecular Weight | 310.259 |
| MOL File | 28309-53-7.mol |
Chemical Properties
| Melting point | 188-190 °C(Solvent: Ethyl acetate; Ligroine) |
| Boiling point | 430.475±55.00 °C(Press: 760.00 Torr)(predicted) |
| density | 1.651±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| pka | -4.897±0.60(predicted) |
| InChI | InChI=1S/C13H14N2O7/c1-6(16)19-5-8-10(20-7(2)17)11-12(21-8)15-4-3-9(18)14-13(15)22-11/h3-4,8,10-12H,5H2,1-2H3/t8-,10-,11+,12-/m1/s1 |
| InChIKey | AXUJTCUYAOPZNY-KXGXSXBTSA-N |
| SMILES | O1[C@]([H])(C([H])([H])OC(C([H])([H])[H])=O)[C@]([H])([C@@]2([H])[C@]1([H])N1C([H])=C([H])C(N=C1O2)=O)OC(C([H])([H])[H])=O |