3-hydroxy-5-methylsulfanyloxolane-2-carboxylic acid

C6H10O4S — CID 138517796

IUPAC3-hydroxy-5-methylsulfanyloxolane-2-carboxylic acid
SMILESCSC1CC(O)C(C(=O)O)O1
InChIInChI=1S/C6H10O4S/c1-11-4-2-3(7)5(10-4)6(8)9/h3-5,7H,2H2,1H3,(H,8,9)
InChIKeyJJQNTUMWNXEGBX-UHFFFAOYSA-N
MW178.21 g/mol
LogP-0.09
Rot. Bonds2

About 3-hydroxy-5-methylsulfanyloxolane-2-carboxylic acid

3-hydroxy-5-methylsulfanyloxolane-2-carboxylic acid (PubChem CID 138517796) has the molecular formula C6H10O4S and a molecular weight of 178.21 g/mol. Its IUPAC name is 3-hydroxy-5-methylsulfanyloxolane-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-5-methylsulfanyloxolane-2-carboxylic acid
PubChem CID138517796
Molecular FormulaC6H10O4S
Molecular Weight178.21 g/mol
Exact Mass178.03
IUPAC Name3-hydroxy-5-methylsulfanyloxolane-2-carboxylic acid
SMILESCSC1CC(O)C(C(=O)O)O1
InChIInChI=1S/C6H10O4S/c1-11-4-2-3(7)5(10-4)6(8)9/h3-5,7H,2H2,1H3,(H,8,9)
InChIKeyJJQNTUMWNXEGBX-UHFFFAOYSA-N
XLogP-0.09
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-5-methylsulfanyloxolane-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methylsulfanyloxolane-2-carboxylic acid?
The IUPAC name of 3-hydroxy-5-methylsulfanyloxolane-2-carboxylic acid (CID 138517796) is 3-hydroxy-5-methylsulfanyloxolane-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-5-methylsulfanyloxolane-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-5-methylsulfanyloxolane-2-carboxylic acid is CSC1CC(O)C(C(=O)O)O1.
What is the InChIKey of 3-hydroxy-5-methylsulfanyloxolane-2-carboxylic acid?
The InChIKey is JJQNTUMWNXEGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4S/c1-11-4-2-3(7)5(10-4)6(8)9/h3-5,7H,2H2,1H3,(H,8,9).
What are the key properties of 3-hydroxy-5-methylsulfanyloxolane-2-carboxylic acid?
3-hydroxy-5-methylsulfanyloxolane-2-carboxylic acid has a molecular weight of 178.21 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methylsulfanyloxolane-2-carboxylic acid is sourced from PubChem (CID 138517796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).