250
Summary
| Name: | (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid |
| Formula: | C9 H20 N2 O5 S |
| Formal charge: | 0 |
| Formula weight: | 268.331 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(O)CC(O)CN1CCN(CCO)CC1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OCCN1CCN(CC1)C[C@@H](O)C[S](O)(=O)=O |
| SMILES | CACTVS | 3.341 | OCCN1CCN(CC1)C[CH](O)C[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CN(CCN1CCO)C[C@H](CS(=O)(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CN(CCN1CCO)CC(CS(=O)(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H20N2O5S/c12-6-5-10-1-3-11(4-2-10)7-9(13)8-17(14,15)16/h9,12-13H,1-8H2,(H,14,15,16)/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | GIZQLVPDAOBAFN-SECBINFHSA-N |
