oxalate;bis(terbium(3+));hydrate

C6H2O13Tb2 — CID 57351143

IUPACoxalate;bis(terbium(3+));hydrate
SMILESO.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Tb+3].[Tb+3]
InChIInChI=1S/3C2H2O4.H2O.2Tb/c3*3-1(4)2(5)6;;;/h3*(H,3,4)(H,5,6);1H2;;/q;;;;2*+3/p-6
InChIKeyMRKLREZIHCKGJG-UHFFFAOYSA-H
MW599.92 g/mol
LogP-11.37
Rot. Bonds

About oxalate;bis(terbium(3+));hydrate

oxalate;bis(terbium(3+));hydrate (PubChem CID 57351143) has the molecular formula C6H2O13Tb2 and a molecular weight of 599.92 g/mol. Its IUPAC name is oxalate;bis(terbium(3+));hydrate.

Molecular Properties

Compound Nameoxalate;bis(terbium(3+));hydrate
PubChem CID57351143
Molecular FormulaC6H2O13Tb2
Molecular Weight599.92 g/mol
Exact Mass599.80
IUPAC Nameoxalate;bis(terbium(3+));hydrate
SMILESO.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Tb+3].[Tb+3]
InChIInChI=1S/3C2H2O4.H2O.2Tb/c3*3-1(4)2(5)6;;;/h3*(H,3,4)(H,5,6);1H2;;/q;;;;2*+3/p-6
InChIKeyMRKLREZIHCKGJG-UHFFFAOYSA-H
XLogP-11.37
TPSA272.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.92
LogP ≤ 5-11.37
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

lanthanum;oxalate;nonahydrate
CID 172983604
oxalate;bis(yttrium(3+));hydrate
CID 516803
zinc;oxalate;hexahydrate
CID 175037581
iron(3+);oxalate;hydrate
CID 172796672
potassium;iron(3+);oxalate;trihydrate
CID 102601672
bis(cerium(3+));oxalate;decahydrate
CID 71586987
dizinc;oxalate;hydrate
CID 175884048
manganese(2+);oxalate;tetrahydrate
CID 175494327
octacesium;oxalate;dihydrate
CID 164888483
dipotassium;oxalate;platinum(2+);dihydrate
CID 56841024
dibismuth;oxalate;heptahydrate
CID 172687404
niobium(2+);oxalate;hydrate
CID 174517639

Frequently Asked Questions

What is the IUPAC name of oxalate;bis(terbium(3+));hydrate?
The IUPAC name of oxalate;bis(terbium(3+));hydrate (CID 57351143) is oxalate;bis(terbium(3+));hydrate.
What is the SMILES notation for oxalate;bis(terbium(3+));hydrate?
The canonical SMILES for oxalate;bis(terbium(3+));hydrate is O.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Tb+3].[Tb+3].
What is the InChIKey of oxalate;bis(terbium(3+));hydrate?
The InChIKey is MRKLREZIHCKGJG-UHFFFAOYSA-H. The full InChI is InChI=1S/3C2H2O4.H2O.2Tb/c3*3-1(4)2(5)6;;;/h3*(H,3,4)(H,5,6);1H2;;/q;;;;2*+3/p-6.
What are the key properties of oxalate;bis(terbium(3+));hydrate?
oxalate;bis(terbium(3+));hydrate has a molecular weight of 599.92 g/mol, XLogP of -11.37, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for oxalate;bis(terbium(3+));hydrate is sourced from PubChem (CID 57351143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).