1-(3-Hydroxy-6-(hydroxymethyl)-4-oxopyridyl)-2-ethanesulfonic acid

Base Information

• Chemical Name: 1-(3-Hydroxy-6-(hydroxymethyl)-4-oxopyridyl)-2-ethanesulfonic acid
• CAS No.: 151778-99-3
• Molecular Formula: C8H11 N O6 S
• Molecular Weight: 249.24
• DSSTox Substance ID: DTXSID70934343
• Nikkaji Number: J577.020C
• Wikidata: Q82910218
• ChEMBL ID: CHEMBL367077
• Mol file: 151778-99-3.mol

Synonyms:1-(3-hydroxy-6-(hydroxymethyl)-4-oxopyridyl)-2-ethanesulfonic acid;HHOPES

Chemical Property of 1-(3-Hydroxy-6-(hydroxymethyl)-4-oxopyridyl)-2-ethanesulfonic acid

Chemical Property:

• PSA: 125.21000
• Density: 1.648g/cm³
• LogP: 0.01480
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 249.03070824
• Heavy Atom Count: 16
• Complexity: 444

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N(C=C(C1=O)O)CCS(=O)(=O)O)CO

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