potassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate)

C8H8KO12Sb — CID 90471392

IUPACpotassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate)
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+].[Sb+3]
InChIInChI=1S/2C4H6O6.K.Sb/c2*5-1(3(7)8)2(6)4(9)10;;/h2*1-2,5-6H,(H,7,8)(H,9,10);;/q;;+1;+3/p-4/t2*1-,2-;;/m11../s1
InChIKeyIIQJBVZYLIIMND-IWZZCOQPSA-J
MW457.00 g/mol
LogP-12.96
Rot. Bonds6

About potassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate)

potassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate) (PubChem CID 90471392) has the molecular formula C8H8KO12Sb and a molecular weight of 457.00 g/mol. Its IUPAC name is potassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate).

Molecular Properties

Compound Namepotassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate)
PubChem CID90471392
Molecular FormulaC8H8KO12Sb
Molecular Weight457.00 g/mol
Exact Mass455.87
IUPAC Namepotassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate)
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+].[Sb+3]
InChIInChI=1S/2C4H6O6.K.Sb/c2*5-1(3(7)8)2(6)4(9)10;;/h2*1-2,5-6H,(H,7,8)(H,9,10);;/q;;+1;+3/p-4/t2*1-,2-;;/m11../s1
InChIKeyIIQJBVZYLIIMND-IWZZCOQPSA-J
XLogP-12.96
TPSA241.44 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.00
LogP ≤ 5-12.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
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;potassium;sodium;2,3-dihydroxybutanedioate;chloride
CID 160595070
dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate
CID 173203823
copper;2,3-dihydroxybutanedioate;tetrahydrate
CID 159915205
dicalcium;bis(2,3-dihydroxybutanedioate);tetrahydrate
CID 159194146
azanium;cerium(3+);2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
CID 90475534
sodium;2,3-dihydroxybutanedioate;nickel(2+)
CID 159221608

Frequently Asked Questions

What is the IUPAC name of potassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate)?
The IUPAC name of potassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate) (CID 90471392) is potassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate).
What is the SMILES notation for potassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate)?
The canonical SMILES for potassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate) 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+].[Sb+3].
What is the InChIKey of potassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate)?
The InChIKey is IIQJBVZYLIIMND-IWZZCOQPSA-J. The full InChI is InChI=1S/2C4H6O6.K.Sb/c2*5-1(3(7)8)2(6)4(9)10;;/h2*1-2,5-6H,(H,7,8)(H,9,10);;/q;;+1;+3/p-4/t2*1-,2-;;/m11../s1.
What are the key properties of potassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate)?
potassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate) has a molecular weight of 457.00 g/mol, XLogP of -12.96, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate) is sourced from PubChem (CID 90471392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).