7WF

2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid

Created:	2017-01-25
Last modified:	2020-06-05

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1 entries where 7WF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	1
Bond Count	44
Aromatic Bond Count	0

2D diagram of 7WF

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Chemical Component Summary
Name	2-hydroxy-3-[4-(2-hydroxy-3-sulfopropyl)piperazin-1-yl]propane-1-sulfonic acid
Synonyms	POPSO
Systematic Name (OpenEye OEToolkits)	2-oxidanyl-3-[4-[(2~{R})-2-oxidanyl-3-sulfo-propyl]piperazin-1-yl]propane-1-sulfonic acid
Formula	C₁₀ H₂₂ N₂ O₈ S₂
Molecular Weight	362.42
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[CH](CN1CCN(CC1)CC(O)C[S](O)(=O)=O)C[S](O)(=O)=O
SMILES	OpenEye OEToolkits	2.0.6	C1CN(CCN1CC(CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O
Canonical SMILES	CACTVS	3.385	O[C@H](CN1CCN(CC1)CC(O)C[S](O)(=O)=O)C[S](O)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C1CN(CCN1C[C@H](CS(=O)(=O)O)O)CC(CS(=O)(=O)O)O
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

Related Resource References

Resource Name	Reference
PubChem	7004948, 7004949

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.