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

C8H4O12Sb2-2 — CID 119081407

IUPACbis(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-].[Sb+3].[Sb+3]
InChIInChI=1S/2C4H4O6.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;/h2*1-2H,(H,7,8)(H,9,10);;/q2*-2;2*+3/p-4/t2*1-,2-;;/m11../s1
InChIKeyJFVMOLRNQCNLCH-IWZZCOQPSA-J
MW535.63 g/mol
LogP-12.87
Rot. Bonds6

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

bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate) (PubChem CID 119081407) has the molecular formula C8H4O12Sb2-2 and a molecular weight of 535.63 g/mol. Its IUPAC name is bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate).

Molecular Properties

Compound Namebis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate)
PubChem CID119081407
Molecular FormulaC8H4O12Sb2-2
Molecular Weight535.63 g/mol
Exact Mass533.78
IUPAC Namebis(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-].[Sb+3].[Sb+3]
InChIInChI=1S/2C4H4O6.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;/h2*1-2H,(H,7,8)(H,9,10);;/q2*-2;2*+3/p-4/t2*1-,2-;;/m11../s1
InChIKeyJFVMOLRNQCNLCH-IWZZCOQPSA-J
XLogP-12.87
TPSA252.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.63
LogP ≤ 5-12.87
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

dipotassium;bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate)
CID 76968156
bismuth;sodium;2,3-dioxidobutanedioate
CID 10249043
trisodium;2-hydroxy-3-oxidobutanedioate
CID 173301260
dilithium;2-amino-2-oxidoacetate
CID 56968278
potassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate)
CID 90471392
antimony(3+);tris(2-sulfanylpropanoate)
CID 23452047
dipotassium;phosphane;carbonate
CID 161306374
2,3-dihydroxybutanedioate
CID 19608871
bis(antimony(3+));tris(2-[carboxylato(hydroxy)methyl]sulfanyl-2-hydroxyacetate)
CID 22173781
disilver;2-methylpropanedioate
CID 121393244
bis(2,2-dichloroacetate);iron(2+)
CID 18984297
calcium bis(2-methylpropanoate)
CID 102602609

Frequently Asked Questions

What is the IUPAC name of bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate)?
The IUPAC name of bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate) (CID 119081407) is bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate).
What is the SMILES notation for bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate)?
The canonical SMILES for 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-].[Sb+3].[Sb+3].
What is the InChIKey of bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate)?
The InChIKey is JFVMOLRNQCNLCH-IWZZCOQPSA-J. The full InChI is InChI=1S/2C4H4O6.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;/h2*1-2H,(H,7,8)(H,9,10);;/q2*-2;2*+3/p-4/t2*1-,2-;;/m11../s1.
What are the key properties of bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate)?
bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate) has a molecular weight of 535.63 g/mol, XLogP of -12.87, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate) is sourced from PubChem (CID 119081407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).