potassium 2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate

C4H4KO7Sb — CID 23707960

IUPACpotassium 2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate
SMILESO=[Sb]OC(=O)C(O)C(O)C(=O)[O-].[K+]
InChIInChI=1S/C4H6O6.K.O.Sb/c5-1(3(7)8)2(6)4(9)10;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;/q;+1;;+1/p-2
InChIKeyCZMCJOKDDOIMHO-UHFFFAOYSA-L
MW324.93 g/mol
LogP-7.03
Rot. Bonds4

About potassium 2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate

potassium 2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate (PubChem CID 23707960) has the molecular formula C4H4KO7Sb and a molecular weight of 324.93 g/mol. Its IUPAC name is potassium 2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate.

Molecular Properties

Compound Namepotassium 2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate
PubChem CID23707960
Molecular FormulaC4H4KO7Sb
Molecular Weight324.93 g/mol
Exact Mass323.86
IUPAC Namepotassium 2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate
SMILESO=[Sb]OC(=O)C(O)C(O)C(=O)[O-].[K+]
InChIInChI=1S/C4H6O6.K.O.Sb/c5-1(3(7)8)2(6)4(9)10;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;/q;+1;;+1/p-2
InChIKeyCZMCJOKDDOIMHO-UHFFFAOYSA-L
XLogP-7.03
TPSA123.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.93
LogP ≤ 5-7.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze potassium 2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium (2R,3R)-2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate
CID 91886487
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
potassium 4-aminooxy-2,3-dihydroxy-4-oxobutanoate
CID 174636110
potassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate)
CID 90471392
potassium;2,3-dihydroxybutanedioate;zirconium(2+)
CID 19373860
2,3-dihydroxybutanedioate
CID 19608871
tetraaluminum;tris(2,3-dihydroxybutanedioate);oxalate
CID 21451236
dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
CID 3080629
2,3-dihydroxybutanedioate;manganese(2+)
CID 22027285
azanium 2,3-dihydroxy-4-oxo-4-stibanyloxybutanoate
CID 173395440
copper(1+);2,3-dihydroxy-4-methoxy-4-oxobutanoate
CID 175450123
sodium;2,3-dihydroxy-4-oxo-4-phosphonatooxybutanoate;nickel(2+)
CID 175079698

Frequently Asked Questions

What is the IUPAC name of potassium 2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate?
The IUPAC name of potassium 2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate (CID 23707960) is potassium 2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate.
What is the SMILES notation for potassium 2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate?
The canonical SMILES for potassium 2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate is O=[Sb]OC(=O)C(O)C(O)C(=O)[O-].[K+].
What is the InChIKey of potassium 2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate?
The InChIKey is CZMCJOKDDOIMHO-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O6.K.O.Sb/c5-1(3(7)8)2(6)4(9)10;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;/q;+1;;+1/p-2.
What are the key properties of potassium 2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate?
potassium 2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate has a molecular weight of 324.93 g/mol, XLogP of -7.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,3-dihydroxy-4-oxo-4-oxostibanyloxybutanoate is sourced from PubChem (CID 23707960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).