magnesium;barium(2+);titanium;tetrahydroxide;sulfate

H4BaMgO8STi-2 — CID 19760740

IUPACmagnesium;barium(2+);titanium;tetrahydroxide;sulfate
SMILESO=S(=O)([O-])[O-].[Ba+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[Ti]
InChIInChI=1S/Ba.Mg.H2O4S.4H2O.Ti/c;;1-5(2,3)4;;;;;/h;;(H2,1,2,3,4);4*1H2;/q2*+2;;;;;;/p-6
InChIKeyBPDUWBVPUNOPSZ-UHFFFAOYSA-H
MW373.59 g/mol
LogP-2.81
Rot. Bonds

About magnesium;barium(2+);titanium;tetrahydroxide;sulfate

magnesium;barium(2+);titanium;tetrahydroxide;sulfate (PubChem CID 19760740) has the molecular formula H4BaMgO8STi-2 and a molecular weight of 373.59 g/mol. Its IUPAC name is magnesium;barium(2+);titanium;tetrahydroxide;sulfate.

Molecular Properties

Compound Namemagnesium;barium(2+);titanium;tetrahydroxide;sulfate
PubChem CID19760740
Molecular FormulaH4BaMgO8STi-2
Molecular Weight373.59 g/mol
Exact Mass373.80
IUPAC Namemagnesium;barium(2+);titanium;tetrahydroxide;sulfate
SMILESO=S(=O)([O-])[O-].[Ba+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[Ti]
InChIInChI=1S/Ba.Mg.H2O4S.4H2O.Ti/c;;1-5(2,3)4;;;;;/h;;(H2,1,2,3,4);4*1H2;/q2*+2;;;;;;/p-6
InChIKeyBPDUWBVPUNOPSZ-UHFFFAOYSA-H
XLogP-2.81
TPSA200.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.59
LogP ≤ 5-2.81
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 magnesium;barium(2+);titanium;tetrahydroxide;sulfate with MolForge

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

Launch Full Analysis

Related Compounds

azanium;magnesium;hydroxide;sulfate
CID 160623345
pentaaluminum;decamagnesium;hentriacontahydroxide;disulfate;hydrate
CID 122706784
nickel(2+);chloride;sulfate
CID 19745759
dimagnesium;diiodide;sulfate
CID 175422505
magnesium;methane;sulfate
CID 158186835
strontium;barium(2+);disulfate
CID 54725521
magnesium;lead(2+);disulfate
CID 159783766
magnesium;sulfate;hydrobromide
CID 174858346
barium(2+);thorium(4+);trisulfate
CID 158644230
calcium;nickel(2+);dihydroxide;sulfate
CID 174314287
nickel(2+);tin(2+);disulfate
CID 175997919
iron;nickel(2+);sulfate
CID 25253234

Frequently Asked Questions

What is the IUPAC name of magnesium;barium(2+);titanium;tetrahydroxide;sulfate?
The IUPAC name of magnesium;barium(2+);titanium;tetrahydroxide;sulfate (CID 19760740) is magnesium;barium(2+);titanium;tetrahydroxide;sulfate.
What is the SMILES notation for magnesium;barium(2+);titanium;tetrahydroxide;sulfate?
The canonical SMILES for magnesium;barium(2+);titanium;tetrahydroxide;sulfate is O=S(=O)([O-])[O-].[Ba+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[Ti].
What is the InChIKey of magnesium;barium(2+);titanium;tetrahydroxide;sulfate?
The InChIKey is BPDUWBVPUNOPSZ-UHFFFAOYSA-H. The full InChI is InChI=1S/Ba.Mg.H2O4S.4H2O.Ti/c;;1-5(2,3)4;;;;;/h;;(H2,1,2,3,4);4*1H2;/q2*+2;;;;;;/p-6.
What are the key properties of magnesium;barium(2+);titanium;tetrahydroxide;sulfate?
magnesium;barium(2+);titanium;tetrahydroxide;sulfate has a molecular weight of 373.59 g/mol, XLogP of -2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;barium(2+);titanium;tetrahydroxide;sulfate is sourced from PubChem (CID 19760740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).