7WF
Summary
| Name: | 2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid |
| Synonyms: | POPSO |
| Formula: | C10 H22 N2 O8 S2 |
| Formal charge: | 0 |
| Formula weight: | 362.42 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-oxidanyl-3-[4-[(2~{R})-2-oxidanyl-3-sulfo-propyl]piperazin-1-yl]propane-1-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H22N2O8S2/c13-9(7-21(15,16)17)5-11-1-2-12(4-3-11)6-10(14)8-22(18,19)20/h9-10,13-14H,1-8H2,(H,15,16,17)(H,18,19,20)/t9-,10?/m1/s1 |
| InChIKey | InChI | 1.03 | LVQFQZZGTZFUNF-YHMJZVADSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H](CN1CCN(CC1)CC(O)C[S](O)(=O)=O)C[S](O)(=O)=O |
| SMILES | CACTVS | 3.385 | O[CH](CN1CCN(CC1)CC(O)C[S](O)(=O)=O)C[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CN(CCN1C[C@H](CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CN(CCN1CC(CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O |
