| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H14O8.C17H17ClN6O3 |
| Molecular Weight | 747.107 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)[C@@H](OC(=O)C1=CC=CC=C1)[C@H](OC(=O)C2=CC=CC=C2)C(O)=O.CN3CCN(CC3)C(=O)O[C@@H]4N(C(=O)C5=NC=CN=C45)C6=NC=C(Cl)C=C6
InChI
InChIKey=VWHOMASMFLCMFN-ASBFDMRRSA-N
InChI=1S/C18H14O8.C17H17ClN6O3/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12;1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h1-10,13-14H,(H,19,20)(H,21,22);2-5,10,16H,6-9H2,1H3/t13-,14-;16-/m00/s1
| Molecular Formula | C18H14O8 |
| Molecular Weight | 358.299 |
| 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 | C17H17ClN6O3 |
| Molecular Weight | 388.808 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |