| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H22N6O3.C4H11NO3 |
| Molecular Weight | 527.5728 |
| Optical Activity | NONE |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NC(CO)(CO)CO.COC1=CC=CC2=C1NC(=C2)C3=C4N(N=CN=C4N)C(=N3)[C@H]5CC[C@@H](CC5)C(O)=O
InChI
InChIKey=YMQRKUUPKVIYHX-GJTSMBTKSA-N
InChI=1S/C21H22N6O3.C4H11NO3/c1-30-15-4-2-3-13-9-14(25-16(13)15)17-18-19(22)23-10-24-27(18)20(26-17)11-5-7-12(8-6-11)21(28)29;5-4(1-6,2-7)3-8/h2-4,9-12,25H,5-8H2,1H3,(H,28,29)(H2,22,23,24);6-8H,1-3,5H2/t11-,12-;
| Molecular Formula | C4H11NO3 |
| Molecular Weight | 121.135 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C21H22N6O3 |
| Molecular Weight | 406.4378 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
