2-(2-oxooxolane-3-carbonyl)oxyethanesulfonic acid

C7H10O7S — CID 163626928

IUPAC2-(2-oxooxolane-3-carbonyl)oxyethanesulfonic acid
SMILESO=C1OCCC1C(=O)OCCS(=O)(=O)O
InChIInChI=1S/C7H10O7S/c8-6-5(1-2-13-6)7(9)14-3-4-15(10,11)12/h5H,1-4H2,(H,10,11,12)
InChIKeyHSURVRKONSGIBA-UHFFFAOYSA-N
MW238.22 g/mol
LogP-1.02
Rot. Bonds4

About 2-(2-oxooxolane-3-carbonyl)oxyethanesulfonic acid

2-(2-oxooxolane-3-carbonyl)oxyethanesulfonic acid (PubChem CID 163626928) has the molecular formula C7H10O7S and a molecular weight of 238.22 g/mol. Its IUPAC name is 2-(2-oxooxolane-3-carbonyl)oxyethanesulfonic acid.

Molecular Properties

Compound Name2-(2-oxooxolane-3-carbonyl)oxyethanesulfonic acid
PubChem CID163626928
Molecular FormulaC7H10O7S
Molecular Weight238.22 g/mol
Exact Mass238.01
IUPAC Name2-(2-oxooxolane-3-carbonyl)oxyethanesulfonic acid
SMILESO=C1OCCC1C(=O)OCCS(=O)(=O)O
InChIInChI=1S/C7H10O7S/c8-6-5(1-2-13-6)7(9)14-3-4-15(10,11)12/h5H,1-4H2,(H,10,11,12)
InChIKeyHSURVRKONSGIBA-UHFFFAOYSA-N
XLogP-1.02
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-(2-oxooxolane-3-carbonyl)oxyethanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3R)-2-oxooxolane-3-carboxylate
CID 86310576
2-(cyclohexanecarbonyloxy)ethanesulfonic acid
CID 59360397
3-amino-4-oxo-4-(2-oxooxolan-3-yl)oxybutane-1-sulfonic acid
CID 90246285
2-[2-(methoxymethoxycarbonyl)cyclohexanecarbonyl]oxyethanesulfonic acid
CID 129061911
(4-methoxyphenyl)methyl 2-oxooxolane-3-carboxylate
CID 141135197
2-(2-oxocyclohexanecarbonyl)oxyethanesulfonate
CID 59360412
2-(cyclopent-2-ene-1-carbonyloxy)ethanesulfonic acid
CID 121308555
2-[2-(1-hydroxyethoxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl]oxyethanesulfonic acid
CID 169012901
2-(2-methylprop-2-enoyloxy)ethanesulfonic acid;hydrate
CID 139744922
2-(3-oxatricyclo[3.2.1.02,4]octane-6-carbonyloxy)ethanesulfonic acid
CID 129061739
2-(3-ethyl-8-oxobicyclo[3.3.1]nonane-2-carbonyl)oxyethanesulfonic acid
CID 163567938
2-(2-oxooxolan-3-yl)ethyl acetate
CID 11008384

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxooxolane-3-carbonyl)oxyethanesulfonic acid?
The IUPAC name of 2-(2-oxooxolane-3-carbonyl)oxyethanesulfonic acid (CID 163626928) is 2-(2-oxooxolane-3-carbonyl)oxyethanesulfonic acid.
What is the SMILES notation for 2-(2-oxooxolane-3-carbonyl)oxyethanesulfonic acid?
The canonical SMILES for 2-(2-oxooxolane-3-carbonyl)oxyethanesulfonic acid is O=C1OCCC1C(=O)OCCS(=O)(=O)O.
What is the InChIKey of 2-(2-oxooxolane-3-carbonyl)oxyethanesulfonic acid?
The InChIKey is HSURVRKONSGIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O7S/c8-6-5(1-2-13-6)7(9)14-3-4-15(10,11)12/h5H,1-4H2,(H,10,11,12).
What are the key properties of 2-(2-oxooxolane-3-carbonyl)oxyethanesulfonic acid?
2-(2-oxooxolane-3-carbonyl)oxyethanesulfonic acid has a molecular weight of 238.22 g/mol, XLogP of -1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxooxolane-3-carbonyl)oxyethanesulfonic acid is sourced from PubChem (CID 163626928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).