dioxaldehydoyloxystibanyl 2-oxoacetate

C6H3O9Sb — CID 71359975

IUPACdioxaldehydoyloxystibanyl 2-oxoacetate
SMILESO=CC(=O)O[Sb](OC(=O)C=O)OC(=O)C=O
InChIInChI=1S/3C2H2O3.Sb/c3*3-1-2(4)5;/h3*1H,(H,4,5);/q;;;+3/p-3
InChIKeyRRXSNCGYYSUWRH-UHFFFAOYSA-K
MW340.84 g/mol
LogP-2.80
Rot. Bonds6

About dioxaldehydoyloxystibanyl 2-oxoacetate

dioxaldehydoyloxystibanyl 2-oxoacetate (PubChem CID 71359975) has the molecular formula C6H3O9Sb and a molecular weight of 340.84 g/mol. Its IUPAC name is dioxaldehydoyloxystibanyl 2-oxoacetate.

Molecular Properties

Compound Namedioxaldehydoyloxystibanyl 2-oxoacetate
PubChem CID71359975
Molecular FormulaC6H3O9Sb
Molecular Weight340.84 g/mol
Exact Mass339.88
IUPAC Namedioxaldehydoyloxystibanyl 2-oxoacetate
SMILESO=CC(=O)O[Sb](OC(=O)C=O)OC(=O)C=O
InChIInChI=1S/3C2H2O3.Sb/c3*3-1-2(4)5;/h3*1H,(H,4,5);/q;;;+3/p-3
InChIKeyRRXSNCGYYSUWRH-UHFFFAOYSA-K
XLogP-2.80
TPSA130.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 5-2.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze dioxaldehydoyloxystibanyl 2-oxoacetate 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 dioxaldehydoyloxystibanyl 2-oxoacetate?
The IUPAC name of dioxaldehydoyloxystibanyl 2-oxoacetate (CID 71359975) is dioxaldehydoyloxystibanyl 2-oxoacetate.
What is the SMILES notation for dioxaldehydoyloxystibanyl 2-oxoacetate?
The canonical SMILES for dioxaldehydoyloxystibanyl 2-oxoacetate is O=CC(=O)O[Sb](OC(=O)C=O)OC(=O)C=O.
What is the InChIKey of dioxaldehydoyloxystibanyl 2-oxoacetate?
The InChIKey is RRXSNCGYYSUWRH-UHFFFAOYSA-K. The full InChI is InChI=1S/3C2H2O3.Sb/c3*3-1-2(4)5;/h3*1H,(H,4,5);/q;;;+3/p-3.
What are the key properties of dioxaldehydoyloxystibanyl 2-oxoacetate?
dioxaldehydoyloxystibanyl 2-oxoacetate has a molecular weight of 340.84 g/mol, XLogP of -2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dioxaldehydoyloxystibanyl 2-oxoacetate is sourced from PubChem (CID 71359975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).