oxalate;bis(ruthenium(3+))

C6O12Ru2 — CID 57371303

IUPACoxalate;bis(ruthenium(3+))
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Ru+3].[Ru+3]
InChIInChI=1S/3C2H2O4.2Ru/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6
InChIKeyGKEBANQXMVUDHF-UHFFFAOYSA-H
MW466.19 g/mol
LogP-10.55
Rot. Bonds

About oxalate;bis(ruthenium(3+))

oxalate;bis(ruthenium(3+)) (PubChem CID 57371303) has the molecular formula C6O12Ru2 and a molecular weight of 466.19 g/mol. Its IUPAC name is oxalate;bis(ruthenium(3+)).

Molecular Properties

Compound Nameoxalate;bis(ruthenium(3+))
PubChem CID57371303
Molecular FormulaC6O12Ru2
Molecular Weight466.19 g/mol
Exact Mass467.75
IUPAC Nameoxalate;bis(ruthenium(3+))
SMILESO=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Ru+3].[Ru+3]
InChIInChI=1S/3C2H2O4.2Ru/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6
InChIKeyGKEBANQXMVUDHF-UHFFFAOYSA-H
XLogP-10.55
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.19
LogP ≤ 5-10.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

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CID 22066175
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cesium oxalate
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diazanium;oxalate
CID 14213
oxalate;silicon(4+)
CID 19840044
dipotassium;zinc;oxalate
CID 173075091
oxalate;rhodium(2+)
CID 22015935
tetraazanium oxalate
CID 22167731
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CID 165359506
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CID 21124343

Frequently Asked Questions

What is the IUPAC name of oxalate;bis(ruthenium(3+))?
The IUPAC name of oxalate;bis(ruthenium(3+)) (CID 57371303) is oxalate;bis(ruthenium(3+)).
What is the SMILES notation for oxalate;bis(ruthenium(3+))?
The canonical SMILES for oxalate;bis(ruthenium(3+)) is O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Ru+3].[Ru+3].
What is the InChIKey of oxalate;bis(ruthenium(3+))?
The InChIKey is GKEBANQXMVUDHF-UHFFFAOYSA-H. The full InChI is InChI=1S/3C2H2O4.2Ru/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6.
What are the key properties of oxalate;bis(ruthenium(3+))?
oxalate;bis(ruthenium(3+)) has a molecular weight of 466.19 g/mol, XLogP of -10.55, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for oxalate;bis(ruthenium(3+)) is sourced from PubChem (CID 57371303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).