4,5-dihydroxy-6-oxopyran-2-carboxylic acid

C6H4O6 — CID 54707810

IUPAC4,5-dihydroxy-6-oxopyran-2-carboxylic acid
SMILESO=C(O)c1cc(O)c(O)c(=O)o1
InChIInChI=1S/C6H4O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1,7-8H,(H,9,10)
InChIKeyBARVPLONATTYTC-UHFFFAOYSA-N
MW172.09 g/mol
LogP-0.25
Rot. Bonds1

About 4,5-dihydroxy-6-oxopyran-2-carboxylic acid

4,5-dihydroxy-6-oxopyran-2-carboxylic acid (PubChem CID 54707810) has the molecular formula C6H4O6 and a molecular weight of 172.09 g/mol. Its IUPAC name is 4,5-dihydroxy-6-oxopyran-2-carboxylic acid.

Molecular Properties

Compound Name4,5-dihydroxy-6-oxopyran-2-carboxylic acid
PubChem CID54707810
Molecular FormulaC6H4O6
Molecular Weight172.09 g/mol
Exact Mass172.00
IUPAC Name4,5-dihydroxy-6-oxopyran-2-carboxylic acid
SMILESO=C(O)c1cc(O)c(O)c(=O)o1
InChIInChI=1S/C6H4O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1,7-8H,(H,9,10)
InChIKeyBARVPLONATTYTC-UHFFFAOYSA-N
XLogP-0.25
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.09
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4,5-dihydroxy-6-oxopyran-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 4,5-dihydroxy-6-oxopyran-2-carboxylic acid?
The IUPAC name of 4,5-dihydroxy-6-oxopyran-2-carboxylic acid (CID 54707810) is 4,5-dihydroxy-6-oxopyran-2-carboxylic acid.
What is the SMILES notation for 4,5-dihydroxy-6-oxopyran-2-carboxylic acid?
The canonical SMILES for 4,5-dihydroxy-6-oxopyran-2-carboxylic acid is O=C(O)c1cc(O)c(O)c(=O)o1.
What is the InChIKey of 4,5-dihydroxy-6-oxopyran-2-carboxylic acid?
The InChIKey is BARVPLONATTYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1,7-8H,(H,9,10).
What are the key properties of 4,5-dihydroxy-6-oxopyran-2-carboxylic acid?
4,5-dihydroxy-6-oxopyran-2-carboxylic acid has a molecular weight of 172.09 g/mol, XLogP of -0.25, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-6-oxopyran-2-carboxylic acid is sourced from PubChem (CID 54707810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).