2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate

C6H7O7S- — CID 140645608

IUPAC2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate
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)/p-1
InChIKeyJJEFDJXCYZCZOL-UHFFFAOYSA-M
MW223.18 g/mol
LogP-1.61
Rot. Bonds3

About 2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate

2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate (PubChem CID 140645608) has the molecular formula C6H7O7S- and a molecular weight of 223.18 g/mol. Its IUPAC name is 2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate.

Molecular Properties

Compound Name2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate
PubChem CID140645608
Molecular FormulaC6H7O7S-
Molecular Weight223.18 g/mol
Exact Mass222.99
IUPAC Name2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate
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)/p-1
InChIKeyJJEFDJXCYZCZOL-UHFFFAOYSA-M
XLogP-1.61
TPSA109.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 5-1.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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)oxyethanesulfonate?
The IUPAC name of 2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate (CID 140645608) is 2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate.
What is the SMILES notation for 2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate?
The canonical SMILES for 2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate is O=C(CS(=O)(=O)[O-])OC1CCOC1=O.
What is the InChIKey of 2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate?
The InChIKey is JJEFDJXCYZCZOL-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate?
2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate has a molecular weight of 223.18 g/mol, XLogP of -1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(2-oxooxolan-3-yl)oxyethanesulfonate is sourced from PubChem (CID 140645608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).