strontium;barium(2+);disulfate

BaO8S2Sr — CID 54725521

IUPACstrontium;barium(2+);disulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Ba+2].[Sr+2]
InChIInChI=1S/Ba.2H2O4S.Sr/c;2*1-5(2,3)4;/h;2*(H2,1,2,3,4);/q+2;;;+2/p-4
InChIKeyHMNUYYJYMOXWTN-UHFFFAOYSA-J
MW417.07 g/mol
LogP-3.44
Rot. Bonds

About strontium;barium(2+);disulfate

strontium;barium(2+);disulfate (PubChem CID 54725521) has the molecular formula BaO8S2Sr and a molecular weight of 417.07 g/mol. Its IUPAC name is strontium;barium(2+);disulfate.

Molecular Properties

Compound Namestrontium;barium(2+);disulfate
PubChem CID54725521
Molecular FormulaBaO8S2Sr
Molecular Weight417.07 g/mol
Exact Mass417.71
IUPAC Namestrontium;barium(2+);disulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Ba+2].[Sr+2]
InChIInChI=1S/Ba.2H2O4S.Sr/c;2*1-5(2,3)4;/h;2*(H2,1,2,3,4);/q+2;;;+2/p-4
InChIKeyHMNUYYJYMOXWTN-UHFFFAOYSA-J
XLogP-3.44
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.07
LogP ≤ 5-3.44
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'}

Analyze strontium;barium(2+);disulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of strontium;barium(2+);disulfate?
The IUPAC name of strontium;barium(2+);disulfate (CID 54725521) is strontium;barium(2+);disulfate.
What is the SMILES notation for strontium;barium(2+);disulfate?
The canonical SMILES for strontium;barium(2+);disulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Ba+2].[Sr+2].
What is the InChIKey of strontium;barium(2+);disulfate?
The InChIKey is HMNUYYJYMOXWTN-UHFFFAOYSA-J. The full InChI is InChI=1S/Ba.2H2O4S.Sr/c;2*1-5(2,3)4;/h;2*(H2,1,2,3,4);/q+2;;;+2/p-4.
What are the key properties of strontium;barium(2+);disulfate?
strontium;barium(2+);disulfate has a molecular weight of 417.07 g/mol, XLogP of -3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for strontium;barium(2+);disulfate is sourced from PubChem (CID 54725521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).