(3S,4R)-oxolane-3,4-dicarboxylic acid

C6H8O5 — CID 45084963

IUPAC(3S,4R)-oxolane-3,4-dicarboxylic acid
SMILESO=C(O)[C@H]1COC[C@H]1C(=O)O
InChIInChI=1S/C6H8O5/c7-5(8)3-1-11-2-4(3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4+
InChIKeyQUHAOMPZQHGTKN-ZXZARUISSA-N
MW160.12 g/mol
LogP-0.58
Rot. Bonds2

About (3S,4R)-oxolane-3,4-dicarboxylic acid

(3S,4R)-oxolane-3,4-dicarboxylic acid (PubChem CID 45084963) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is (3S,4R)-oxolane-3,4-dicarboxylic acid.

Molecular Properties

Compound Name(3S,4R)-oxolane-3,4-dicarboxylic acid
PubChem CID45084963
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name(3S,4R)-oxolane-3,4-dicarboxylic acid
SMILESO=C(O)[C@H]1COC[C@H]1C(=O)O
InChIInChI=1S/C6H8O5/c7-5(8)3-1-11-2-4(3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4+
InChIKeyQUHAOMPZQHGTKN-ZXZARUISSA-N
XLogP-0.58
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-oxolane-3,4-dicarboxylic 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 (3S,4R)-oxolane-3,4-dicarboxylic acid?
The IUPAC name of (3S,4R)-oxolane-3,4-dicarboxylic acid (CID 45084963) is (3S,4R)-oxolane-3,4-dicarboxylic acid.
What is the SMILES notation for (3S,4R)-oxolane-3,4-dicarboxylic acid?
The canonical SMILES for (3S,4R)-oxolane-3,4-dicarboxylic acid is O=C(O)[C@H]1COC[C@H]1C(=O)O.
What is the InChIKey of (3S,4R)-oxolane-3,4-dicarboxylic acid?
The InChIKey is QUHAOMPZQHGTKN-ZXZARUISSA-N. The full InChI is InChI=1S/C6H8O5/c7-5(8)3-1-11-2-4(3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)/t3-,4+.
What are the key properties of (3S,4R)-oxolane-3,4-dicarboxylic acid?
(3S,4R)-oxolane-3,4-dicarboxylic acid has a molecular weight of 160.12 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-oxolane-3,4-dicarboxylic acid is sourced from PubChem (CID 45084963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).