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 |