sodium;lanthanum(3+);disulfate

LaNaO8S2 — CID 160871042

IUPACsodium;lanthanum(3+);disulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[La+3].[Na+]
InChIInChI=1S/La.Na.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4
InChIKeySLTJEVXIUBGBAY-UHFFFAOYSA-J
MW354.02 g/mol
LogP-5.67
Rot. Bonds

About sodium;lanthanum(3+);disulfate

sodium;lanthanum(3+);disulfate (PubChem CID 160871042) has the molecular formula LaNaO8S2 and a molecular weight of 354.02 g/mol. Its IUPAC name is sodium;lanthanum(3+);disulfate.

Molecular Properties

Compound Namesodium;lanthanum(3+);disulfate
PubChem CID160871042
Molecular FormulaLaNaO8S2
Molecular Weight354.02 g/mol
Exact Mass353.80
IUPAC Namesodium;lanthanum(3+);disulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[La+3].[Na+]
InChIInChI=1S/La.Na.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4
InChIKeySLTJEVXIUBGBAY-UHFFFAOYSA-J
XLogP-5.67
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.02
LogP ≤ 5-5.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;lanthanum(3+);disulfate?
The IUPAC name of sodium;lanthanum(3+);disulfate (CID 160871042) is sodium;lanthanum(3+);disulfate.
What is the SMILES notation for sodium;lanthanum(3+);disulfate?
The canonical SMILES for sodium;lanthanum(3+);disulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[La+3].[Na+].
What is the InChIKey of sodium;lanthanum(3+);disulfate?
The InChIKey is SLTJEVXIUBGBAY-UHFFFAOYSA-J. The full InChI is InChI=1S/La.Na.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4.
What are the key properties of sodium;lanthanum(3+);disulfate?
sodium;lanthanum(3+);disulfate has a molecular weight of 354.02 g/mol, XLogP of -5.67, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;lanthanum(3+);disulfate is sourced from PubChem (CID 160871042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).