potassium 5-carboxyfuran-2-sulfonate

C5H3KO6S — CID 90486300

IUPACpotassium 5-carboxyfuran-2-sulfonate
SMILESO=C(O)c1ccc(S(=O)(=O)[O-])o1.[K+]
InChIInChI=1S/C5H4O6S.K/c6-5(7)3-1-2-4(11-3)12(8,9)10;/h1-2H,(H,6,7)(H,8,9,10);/q;+1/p-1
InChIKeyUYLQJWGTLOUCFL-UHFFFAOYSA-M
MW230.24 g/mol
LogP-3.11
Rot. Bonds2

About potassium 5-carboxyfuran-2-sulfonate

potassium 5-carboxyfuran-2-sulfonate (PubChem CID 90486300) has the molecular formula C5H3KO6S and a molecular weight of 230.24 g/mol. Its IUPAC name is potassium 5-carboxyfuran-2-sulfonate.

Molecular Properties

Compound Namepotassium 5-carboxyfuran-2-sulfonate
PubChem CID90486300
Molecular FormulaC5H3KO6S
Molecular Weight230.24 g/mol
Exact Mass229.93
IUPAC Namepotassium 5-carboxyfuran-2-sulfonate
SMILESO=C(O)c1ccc(S(=O)(=O)[O-])o1.[K+]
InChIInChI=1S/C5H4O6S.K/c6-5(7)3-1-2-4(11-3)12(8,9)10;/h1-2H,(H,6,7)(H,8,9,10);/q;+1/p-1
InChIKeyUYLQJWGTLOUCFL-UHFFFAOYSA-M
XLogP-3.11
TPSA107.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 5-3.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium 5-methoxycarbonylfuran-2-sulfonate
CID 87385701
5-ethoxycarbonylfuran-2-sulfonate
CID 3837677
furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-(2-methylsulfonylethylsulfonyl)furan-2-carboxylic acid
CID 63943584
5-(ethylsulfamoyl)furan-2-carboxylic acid
CID 43149834
5-(2-methoxyethylsulfonyl)furan-2-carboxylic acid
CID 63943954
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 93025181
5-carboxyfuran-2-olate
CID 145013315
5-(2-methylpyrrolidin-1-yl)sulfonylfuran-2-carboxylic acid
CID 54882569
5-[(3,5-dimethylcyclohexyl)sulfamoyl]furan-2-carboxylic acid
CID 64733660
5-(4-acetylpiperazin-1-yl)sulfonylfuran-2-carboxylic acid
CID 29077415
5-[(3,4-dichlorophenyl)methylsulfonyl]furan-2-carboxylic acid
CID 63943575

Frequently Asked Questions

What is the IUPAC name of potassium 5-carboxyfuran-2-sulfonate?
The IUPAC name of potassium 5-carboxyfuran-2-sulfonate (CID 90486300) is potassium 5-carboxyfuran-2-sulfonate.
What is the SMILES notation for potassium 5-carboxyfuran-2-sulfonate?
The canonical SMILES for potassium 5-carboxyfuran-2-sulfonate is O=C(O)c1ccc(S(=O)(=O)[O-])o1.[K+].
What is the InChIKey of potassium 5-carboxyfuran-2-sulfonate?
The InChIKey is UYLQJWGTLOUCFL-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4O6S.K/c6-5(7)3-1-2-4(11-3)12(8,9)10;/h1-2H,(H,6,7)(H,8,9,10);/q;+1/p-1.
What are the key properties of potassium 5-carboxyfuran-2-sulfonate?
potassium 5-carboxyfuran-2-sulfonate has a molecular weight of 230.24 g/mol, XLogP of -3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-carboxyfuran-2-sulfonate is sourced from PubChem (CID 90486300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).