T3A
Summary
| Name: | N-(TRIS(HYDROXYMETHYL)METHYL)-3-AMINOPROPANESULFONIC ACID |
| Formula: | C7 H17 N O6 S |
| Formal charge: | 0 |
| Formula weight: | 243.278 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-{[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]amino}propane-1-sulfonic acid |
| OpenEye OEToolkits | 1.5.0 | 3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propane-1-sulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(O)CCCNC(CO)(CO)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OCC(CO)(CO)NCCC[S](O)(=O)=O |
| SMILES | CACTVS | 3.341 | OCC(CO)(CO)NCCC[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CNC(CO)(CO)CO)CS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CNC(CO)(CO)CO)CS(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H17NO6S/c9-4-7(5-10,6-11)8-2-1-3-15(12,13)14/h8-11H,1-6H2,(H,12,13,14) |
| InChIKey | InChI | 1.03 | YNLCVAQJIKOXER-UHFFFAOYSA-N |
