| Stereochemistry | ABSOLUTE |
| Molecular Formula | C25H26F4N8O2.C4H6O6 |
| Molecular Weight | 696.6068 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@@H]([C@H](O)C(O)=O)C(O)=O.COC1=CC(F)=C(C=C1F)C2=NC=C(N3CCC[C@@](N)(C3)[C@H](O)C(F)F)C(CN4C=NC5=C4N=CN=C5N)=C2
InChI
InChIKey=MHZRSIONLNCYOJ-BQVXHLEDSA-N
InChI=1S/C25H26F4N8O2.C4H6O6/c1-39-19-7-15(26)14(6-16(19)27)17-5-13(9-37-12-35-20-23(30)33-11-34-24(20)37)18(8-32-17)36-4-2-3-25(31,10-36)21(38)22(28)29;5-1(3(7)8)2(6)4(9)10/h5-8,11-12,21-22,38H,2-4,9-10,31H2,1H3,(H2,30,33,34);1-2,5-6H,(H,7,8)(H,9,10)/t21-,25-;1-,2-/m10/s1
| Molecular Formula | C25H26F4N8O2 |
| Molecular Weight | 546.52 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H6O6 |
| Molecular Weight | 150.0868 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
