dialuminum;cesium;rubidium(1+);sulfuric acid;tetrasulfate

H2Al2CsO20RbS5 — CID 174635855

IUPACdialuminum;cesium;rubidium(1+);sulfuric acid;tetrasulfate
SMILESO=S(=O)(O)O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3].[Cs+].[Rb+]
InChIInChI=1S/2Al.Cs.5H2O4S.Rb/c;;;5*1-5(2,3)4;/h;;;5*(H2,1,2,3,4);/q2*+3;+1;;;;;;+1/p-8
InChIKeyXZWMJZODLFOSTP-UHFFFAOYSA-F
MW754.67 g/mol
LogP-12.76
Rot. Bonds

About dialuminum;cesium;rubidium(1+);sulfuric acid;tetrasulfate

dialuminum;cesium;rubidium(1+);sulfuric acid;tetrasulfate (PubChem CID 174635855) has the molecular formula H2Al2CsO20RbS5 and a molecular weight of 754.67 g/mol. Its IUPAC name is dialuminum;cesium;rubidium(1+);sulfuric acid;tetrasulfate.

Molecular Properties

Compound Namedialuminum;cesium;rubidium(1+);sulfuric acid;tetrasulfate
PubChem CID174635855
Molecular FormulaH2Al2CsO20RbS5
Molecular Weight754.67 g/mol
Exact Mass753.55
IUPAC Namedialuminum;cesium;rubidium(1+);sulfuric acid;tetrasulfate
SMILESO=S(=O)(O)O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3].[Cs+].[Rb+]
InChIInChI=1S/2Al.Cs.5H2O4S.Rb/c;;;5*1-5(2,3)4;/h;;;5*(H2,1,2,3,4);/q2*+3;+1;;;;;;+1/p-8
InChIKeyXZWMJZODLFOSTP-UHFFFAOYSA-F
XLogP-12.76
TPSA395.64 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.67
LogP ≤ 5-12.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

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 dialuminum;cesium;rubidium(1+);sulfuric acid;tetrasulfate?
The IUPAC name of dialuminum;cesium;rubidium(1+);sulfuric acid;tetrasulfate (CID 174635855) is dialuminum;cesium;rubidium(1+);sulfuric acid;tetrasulfate.
What is the SMILES notation for dialuminum;cesium;rubidium(1+);sulfuric acid;tetrasulfate?
The canonical SMILES for dialuminum;cesium;rubidium(1+);sulfuric acid;tetrasulfate is O=S(=O)(O)O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3].[Cs+].[Rb+].
What is the InChIKey of dialuminum;cesium;rubidium(1+);sulfuric acid;tetrasulfate?
The InChIKey is XZWMJZODLFOSTP-UHFFFAOYSA-F. The full InChI is InChI=1S/2Al.Cs.5H2O4S.Rb/c;;;5*1-5(2,3)4;/h;;;5*(H2,1,2,3,4);/q2*+3;+1;;;;;;+1/p-8.
What are the key properties of dialuminum;cesium;rubidium(1+);sulfuric acid;tetrasulfate?
dialuminum;cesium;rubidium(1+);sulfuric acid;tetrasulfate has a molecular weight of 754.67 g/mol, XLogP of -12.76, 0 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;cesium;rubidium(1+);sulfuric acid;tetrasulfate is sourced from PubChem (CID 174635855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).