dipotassium;bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate)

C8H4K2O12Sb2 — CID 76968156

IUPACdipotassium;bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate)
SMILESO=C([O-])[C@H]([O-])[C@@H]([O-])C(=O)[O-].O=C([O-])[C@H]([O-])[C@@H]([O-])C(=O)[O-].[K+].[K+].[Sb+3].[Sb+3]
InChIInChI=1S/2C4H4O6.2K.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;;;/h2*1-2H,(H,7,8)(H,9,10);;;;/q2*-2;2*+1;2*+3/p-4/t2*1-,2-;;;;/m11..../s1
InChIKeyGUJUCWZGYWASLH-SOMOIXMJSA-J
MW613.82 g/mol
LogP-18.87
Rot. Bonds6

About dipotassium;bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate)

dipotassium;bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate) (PubChem CID 76968156) has the molecular formula C8H4K2O12Sb2 and a molecular weight of 613.82 g/mol. Its IUPAC name is dipotassium;bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate).

Molecular Properties

Compound Namedipotassium;bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate)
PubChem CID76968156
Molecular FormulaC8H4K2O12Sb2
Molecular Weight613.82 g/mol
Exact Mass611.71
IUPAC Namedipotassium;bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate)
SMILESO=C([O-])[C@H]([O-])[C@@H]([O-])C(=O)[O-].O=C([O-])[C@H]([O-])[C@@H]([O-])C(=O)[O-].[K+].[K+].[Sb+3].[Sb+3]
InChIInChI=1S/2C4H4O6.2K.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;;;/h2*1-2H,(H,7,8)(H,9,10);;;;/q2*-2;2*+1;2*+3/p-4/t2*1-,2-;;;;/m11..../s1
InChIKeyGUJUCWZGYWASLH-SOMOIXMJSA-J
XLogP-18.87
TPSA252.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.82
LogP ≤ 5-18.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate)
CID 119081407
bismuth;sodium;2,3-dioxidobutanedioate
CID 10249043
trisodium;2-hydroxy-3-oxidobutanedioate
CID 173301260
potassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate)
CID 90471392
dipotassium;phosphane;carbonate
CID 161306374
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
dilithium;2-amino-2-oxidoacetate
CID 56968278
potassium 2-hydroxypropanoate
CID 23671663
potassium;2,3-dihydroxybutanedioate;zirconium(2+)
CID 19373860
dipotassium;dizinc;hexakis(2-hydroxypropanoate)
CID 160618147
potassium;zinc;tris(2-hydroxypropanoate)
CID 86746346
potassium 2-aminopropanoate
CID 21339510

Frequently Asked Questions

What is the IUPAC name of dipotassium;bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate)?
The IUPAC name of dipotassium;bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate) (CID 76968156) is dipotassium;bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate).
What is the SMILES notation for dipotassium;bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate)?
The canonical SMILES for dipotassium;bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate) is O=C([O-])[C@H]([O-])[C@@H]([O-])C(=O)[O-].O=C([O-])[C@H]([O-])[C@@H]([O-])C(=O)[O-].[K+].[K+].[Sb+3].[Sb+3].
What is the InChIKey of dipotassium;bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate)?
The InChIKey is GUJUCWZGYWASLH-SOMOIXMJSA-J. The full InChI is InChI=1S/2C4H4O6.2K.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;;;/h2*1-2H,(H,7,8)(H,9,10);;;;/q2*-2;2*+1;2*+3/p-4/t2*1-,2-;;;;/m11..../s1.
What are the key properties of dipotassium;bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate)?
dipotassium;bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate) has a molecular weight of 613.82 g/mol, XLogP of -18.87, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate) is sourced from PubChem (CID 76968156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).