2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonic acid

C6H8O7S — CID 90246311

IUPAC2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonic acid
SMILESO=C(CS(=O)(=O)O)OC1CCOC1=O
InChIInChI=1S/C6H8O7S/c7-5(3-14(9,10)11)13-4-1-2-12-6(4)8/h4H,1-3H2,(H,9,10,11)
InChIKeyJJEFDJXCYZCZOL-UHFFFAOYSA-N
MW224.19 g/mol
LogP-1.27
Rot. Bonds3

About 2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonic acid

2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonic acid (PubChem CID 90246311) has the molecular formula C6H8O7S and a molecular weight of 224.19 g/mol. Its IUPAC name is 2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonic acid.

Molecular Properties

Compound Name2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonic acid
PubChem CID90246311
Molecular FormulaC6H8O7S
Molecular Weight224.19 g/mol
Exact Mass224.00
IUPAC Name2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonic acid
SMILESO=C(CS(=O)(=O)O)OC1CCOC1=O
InChIInChI=1S/C6H8O7S/c7-5(3-14(9,10)11)13-4-1-2-12-6(4)8/h4H,1-3H2,(H,9,10,11)
InChIKeyJJEFDJXCYZCZOL-UHFFFAOYSA-N
XLogP-1.27
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonic acid?
The IUPAC name of 2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonic acid (CID 90246311) is 2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonic acid.
What is the SMILES notation for 2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonic acid?
The canonical SMILES for 2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonic acid is O=C(CS(=O)(=O)O)OC1CCOC1=O.
What is the InChIKey of 2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonic acid?
The InChIKey is JJEFDJXCYZCZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7S/c7-5(3-14(9,10)11)13-4-1-2-12-6(4)8/h4H,1-3H2,(H,9,10,11).
What are the key properties of 2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonic acid?
2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonic acid has a molecular weight of 224.19 g/mol, XLogP of -1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonic acid is sourced from PubChem (CID 90246311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).