tridecakis(lanthanum(3+));(oxygen(2-))

La13O45-51 — CID 173257944

IUPACtridecakis(lanthanum(3+));(oxygen(2-))
SMILES[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
InChIInChI=1S/13La.45O/q13*+3;45*-2
InChIKeyUYERGUSMQGXLQK-UHFFFAOYSA-N
MW2525.73 g/mol
LogP-5.35
Rot. Bonds

About tridecakis(lanthanum(3+));(oxygen(2-))

tridecakis(lanthanum(3+));(oxygen(2-)) (PubChem CID 173257944) has the molecular formula La13O45-51 and a molecular weight of 2525.73 g/mol. Its IUPAC name is tridecakis(lanthanum(3+));(oxygen(2-)).

Molecular Properties

Compound Nametridecakis(lanthanum(3+));(oxygen(2-))
PubChem CID173257944
Molecular FormulaLa13O45-51
Molecular Weight2525.73 g/mol
Exact Mass2525.58
IUPAC Nametridecakis(lanthanum(3+));(oxygen(2-))
SMILES[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2]
InChIInChI=1S/13La.45O/q13*+3;45*-2
InChIKeyUYERGUSMQGXLQK-UHFFFAOYSA-N
XLogP-5.35
TPSA1282.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms58
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5002525.73
LogP ≤ 5-5.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tridecakis(lanthanum(3+));(oxygen(2-))?
The IUPAC name of tridecakis(lanthanum(3+));(oxygen(2-)) (CID 173257944) is tridecakis(lanthanum(3+));(oxygen(2-)).
What is the SMILES notation for tridecakis(lanthanum(3+));(oxygen(2-))?
The canonical SMILES for tridecakis(lanthanum(3+));(oxygen(2-)) is [La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[La+3].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].
What is the InChIKey of tridecakis(lanthanum(3+));(oxygen(2-))?
The InChIKey is UYERGUSMQGXLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/13La.45O/q13*+3;45*-2.
What are the key properties of tridecakis(lanthanum(3+));(oxygen(2-))?
tridecakis(lanthanum(3+));(oxygen(2-)) has a molecular weight of 2525.73 g/mol, XLogP of -5.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tridecakis(lanthanum(3+));(oxygen(2-)) is sourced from PubChem (CID 173257944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).