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Bis(lutetium(3+));trisulfite

Lu2O9S3 — CID 159878392

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACbis(lutetium(3+));trisulfite
SMILESO=S([O-])[O-].O=S([O-])[O-].O=S([O-])[O-].[Lu+3].[Lu+3]
InChIInChI=1S/2Lu.3H2O3S/c;;3*1-4(2)3/h;;3*(H2,1,2,3)/q2*+3;;;/p-6
InChIKeyNTFCIMZCFXVTOZ-UHFFFAOYSA-H
MW590.13 g/mol
LogP-3.01
Rot. Bonds

About Bis(lutetium(3+));trisulfite

Bis(lutetium(3+));trisulfite (PubChem CID 159878392) has the molecular formula Lu2O9S3 and a molecular weight of 590.13 g/mol. Its IUPAC name is bis(lutetium(3+));trisulfite.

Molecular Properties

Compound NameBis(lutetium(3+));trisulfite
PubChem CID159878392
Molecular FormulaLu2O9S3
Molecular Weight590.13 g/mol
Exact Mass589.75
IUPAC Namebis(lutetium(3+));trisulfite
SMILESO=S([O-])[O-].O=S([O-])[O-].O=S([O-])[O-].[Lu+3].[Lu+3]
InChIInChI=1S/2Lu.3H2O3S/c;;3*1-4(2)3/h;;3*(H2,1,2,3)/q2*+3;;;/p-6
InChIKeyNTFCIMZCFXVTOZ-UHFFFAOYSA-H
XLogP-3.01
TPSA189.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.13
LogP ≤ 5-3.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Bis(lutetium(3+));trisulfite?
The IUPAC name of Bis(lutetium(3+));trisulfite (CID 159878392) is bis(lutetium(3+));trisulfite.
What is the SMILES notation for Bis(lutetium(3+));trisulfite?
The canonical SMILES for Bis(lutetium(3+));trisulfite is O=S([O-])[O-].O=S([O-])[O-].O=S([O-])[O-].[Lu+3].[Lu+3].
What is the InChIKey of Bis(lutetium(3+));trisulfite?
The InChIKey is NTFCIMZCFXVTOZ-UHFFFAOYSA-H. The full InChI is InChI=1S/2Lu.3H2O3S/c;;3*1-4(2)3/h;;3*(H2,1,2,3)/q2*+3;;;/p-6.
What are the key properties of Bis(lutetium(3+));trisulfite?
Bis(lutetium(3+));trisulfite has a molecular weight of 590.13 g/mol, XLogP of -3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for Bis(lutetium(3+));trisulfite is sourced from PubChem (CID 159878392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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