3-formyl-4-formyloxy-2,3-dihydroxy-4-oxobutanoic acid

C6H6O8 — CID 174534282

IUPAC3-formyl-4-formyloxy-2,3-dihydroxy-4-oxobutanoic acid
SMILESO=COC(=O)C(O)(C=O)C(O)C(=O)O
InChIInChI=1S/C6H6O8/c7-1-6(13,3(9)4(10)11)5(12)14-2-8/h1-3,9,13H,(H,10,11)
InChIKeyGVGCDTOJVSFSML-UHFFFAOYSA-N
MW206.11 g/mol
LogP-2.94
Rot. Bonds5

About 3-formyl-4-formyloxy-2,3-dihydroxy-4-oxobutanoic acid

3-formyl-4-formyloxy-2,3-dihydroxy-4-oxobutanoic acid (PubChem CID 174534282) has the molecular formula C6H6O8 and a molecular weight of 206.11 g/mol. Its IUPAC name is 3-formyl-4-formyloxy-2,3-dihydroxy-4-oxobutanoic acid.

Molecular Properties

Compound Name3-formyl-4-formyloxy-2,3-dihydroxy-4-oxobutanoic acid
PubChem CID174534282
Molecular FormulaC6H6O8
Molecular Weight206.11 g/mol
Exact Mass206.01
IUPAC Name3-formyl-4-formyloxy-2,3-dihydroxy-4-oxobutanoic acid
SMILESO=COC(=O)C(O)(C=O)C(O)C(=O)O
InChIInChI=1S/C6H6O8/c7-1-6(13,3(9)4(10)11)5(12)14-2-8/h1-3,9,13H,(H,10,11)
InChIKeyGVGCDTOJVSFSML-UHFFFAOYSA-N
XLogP-2.94
TPSA138.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.11
LogP ≤ 5-2.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-formyl-4-formyloxy-2,3-dihydroxy-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 3-formyl-4-formyloxy-2,3-dihydroxy-4-oxobutanoic acid?
The IUPAC name of 3-formyl-4-formyloxy-2,3-dihydroxy-4-oxobutanoic acid (CID 174534282) is 3-formyl-4-formyloxy-2,3-dihydroxy-4-oxobutanoic acid.
What is the SMILES notation for 3-formyl-4-formyloxy-2,3-dihydroxy-4-oxobutanoic acid?
The canonical SMILES for 3-formyl-4-formyloxy-2,3-dihydroxy-4-oxobutanoic acid is O=COC(=O)C(O)(C=O)C(O)C(=O)O.
What is the InChIKey of 3-formyl-4-formyloxy-2,3-dihydroxy-4-oxobutanoic acid?
The InChIKey is GVGCDTOJVSFSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O8/c7-1-6(13,3(9)4(10)11)5(12)14-2-8/h1-3,9,13H,(H,10,11).
What are the key properties of 3-formyl-4-formyloxy-2,3-dihydroxy-4-oxobutanoic acid?
3-formyl-4-formyloxy-2,3-dihydroxy-4-oxobutanoic acid has a molecular weight of 206.11 g/mol, XLogP of -2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-4-formyloxy-2,3-dihydroxy-4-oxobutanoic acid is sourced from PubChem (CID 174534282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).