| Stereochemistry | ACHIRAL |
| Molecular Formula | C28H34N12O10S2.2Na |
| Molecular Weight | 808.753 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].NC1=NC(=NC(NC2=CC(=C(\C=C\C3=CC=C(NC4=NC(N)=NC(=N4)N(CCO)CCO)C=C3S([O-])(=O)=O)C=C2)S([O-])(=O)=O)=N1)N(CCO)CCO
InChI
InChIKey=PDHPQRWCNQYKMJ-SEPHDYHBSA-L
InChI=1S/C28H36N12O10S2.2Na/c29-23-33-25(37-27(35-23)39(7-11-41)8-12-42)31-19-5-3-17(21(15-19)51(45,46)47)1-2-18-4-6-20(16-22(18)52(48,49)50)32-26-34-24(30)36-28(38-26)40(9-13-43)10-14-44;;/h1-6,15-16,41-44H,7-14H2,(H,45,46,47)(H,48,49,50)(H3,29,31,33,35,37)(H3,30,32,34,36,38);;/q;2*+1/p-2/b2-1+;;
| Molecular Formula | C28H34N12O10S2 |
| Molecular Weight | 762.774 |
| Charge | -2 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| Charge | 1 |
| Count |
MOL RATIO
2 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |