EPE

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Summary

Name:4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
Synonyms:HEPES
Formula:C8 H18 N2 O4 S
Formal charge:0
Molecular weight:238.305 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
OpenEye OEToolkits1.5.02-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(O)CCN1CCN(CCO)CC1
SMILES_CANONICALCACTVS3.341OCCN1CCN(CC1)CC[S](O)(=O)=O
SMILESCACTVS3.341OCCN1CCN(CC1)CC[S](O)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1CN(CCN1CCO)CCS(=O)(=O)O
SMILESOpenEye OEToolkits1.5.0C1CN(CCN1CCO)CCS(=O)(=O)O
InChIInChI1.03InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChIKeyInChI1.03JKMHFZQWWAIEOD-UHFFFAOYSA-N
168889
PDB entries from 2020-09-16