4-[(4-hydroxy-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-c]pyran-7-yl)oxy]-4-oxobutanoic acid

C11H12O8 — CID 23729185

IUPAC4-[(4-hydroxy-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-c]pyran-7-yl)oxy]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)OC1COC(O)C2=CC(=O)OC21
InChIInChI=1S/C11H12O8/c12-7(13)1-2-8(14)18-6-4-17-11(16)5-3-9(15)19-10(5)6/h3,6,10-11,16H,1-2,4H2,(H,12,13)
InChIKeyCLGRBBWMKWTJJS-UHFFFAOYSA-N
MW272.21 g/mol
LogP-1.04
Rot. Bonds4

About 4-[(4-hydroxy-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-c]pyran-7-yl)oxy]-4-oxobutanoic acid

4-[(4-hydroxy-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-c]pyran-7-yl)oxy]-4-oxobutanoic acid (PubChem CID 23729185) has the molecular formula C11H12O8 and a molecular weight of 272.21 g/mol. Its IUPAC name is 4-[(4-hydroxy-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-c]pyran-7-yl)oxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(4-hydroxy-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-c]pyran-7-yl)oxy]-4-oxobutanoic acid
PubChem CID23729185
Molecular FormulaC11H12O8
Molecular Weight272.21 g/mol
Exact Mass272.05
IUPAC Name4-[(4-hydroxy-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-c]pyran-7-yl)oxy]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)OC1COC(O)C2=CC(=O)OC21
InChIInChI=1S/C11H12O8/c12-7(13)1-2-8(14)18-6-4-17-11(16)5-3-9(15)19-10(5)6/h3,6,10-11,16H,1-2,4H2,(H,12,13)
InChIKeyCLGRBBWMKWTJJS-UHFFFAOYSA-N
XLogP-1.04
TPSA119.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(4-hydroxy-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-c]pyran-7-yl)oxy]-4-oxobutanoic 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 4-[(4-hydroxy-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-c]pyran-7-yl)oxy]-4-oxobutanoic acid?
The IUPAC name of 4-[(4-hydroxy-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-c]pyran-7-yl)oxy]-4-oxobutanoic acid (CID 23729185) is 4-[(4-hydroxy-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-c]pyran-7-yl)oxy]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(4-hydroxy-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-c]pyran-7-yl)oxy]-4-oxobutanoic acid?
The canonical SMILES for 4-[(4-hydroxy-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-c]pyran-7-yl)oxy]-4-oxobutanoic acid is O=C(O)CCC(=O)OC1COC(O)C2=CC(=O)OC21.
What is the InChIKey of 4-[(4-hydroxy-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-c]pyran-7-yl)oxy]-4-oxobutanoic acid?
The InChIKey is CLGRBBWMKWTJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O8/c12-7(13)1-2-8(14)18-6-4-17-11(16)5-3-9(15)19-10(5)6/h3,6,10-11,16H,1-2,4H2,(H,12,13).
What are the key properties of 4-[(4-hydroxy-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-c]pyran-7-yl)oxy]-4-oxobutanoic acid?
4-[(4-hydroxy-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-c]pyran-7-yl)oxy]-4-oxobutanoic acid has a molecular weight of 272.21 g/mol, XLogP of -1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-2-oxo-4,6,7,7a-tetrahydrofuro[3,2-c]pyran-7-yl)oxy]-4-oxobutanoic acid is sourced from PubChem (CID 23729185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).