aluminum;hydrogen sulfate;phosphane;sulfuric acid;sulfate

H6AlO12PS3 — CID 172784585

IUPACaluminum;hydrogen sulfate;phosphane;sulfuric acid;sulfate
SMILESO=S(=O)(O)O.O=S(=O)([O-])O.O=S(=O)([O-])[O-].P.[Al+3]
InChIInChI=1S/Al.3H2O4S.H3P/c;3*1-5(2,3)4;/h;3*(H2,1,2,3,4);1H3/q+3;;;;/p-3
InChIKeyOSHQIQCLXDETCE-UHFFFAOYSA-K
MW352.19 g/mol
LogP-3.31
Rot. Bonds

About aluminum;hydrogen sulfate;phosphane;sulfuric acid;sulfate

aluminum;hydrogen sulfate;phosphane;sulfuric acid;sulfate (PubChem CID 172784585) has the molecular formula H6AlO12PS3 and a molecular weight of 352.19 g/mol. Its IUPAC name is aluminum;hydrogen sulfate;phosphane;sulfuric acid;sulfate.

Molecular Properties

Compound Namealuminum;hydrogen sulfate;phosphane;sulfuric acid;sulfate
PubChem CID172784585
Molecular FormulaH6AlO12PS3
Molecular Weight352.19 g/mol
Exact Mass351.86
IUPAC Namealuminum;hydrogen sulfate;phosphane;sulfuric acid;sulfate
SMILESO=S(=O)(O)O.O=S(=O)([O-])O.O=S(=O)([O-])[O-].P.[Al+3]
InChIInChI=1S/Al.3H2O4S.H3P/c;3*1-5(2,3)4;/h;3*(H2,1,2,3,4);1H3/q+3;;;;/p-3
InChIKeyOSHQIQCLXDETCE-UHFFFAOYSA-K
XLogP-3.31
TPSA232.29 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 5-3.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'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 aluminum;hydrogen sulfate;phosphane;sulfuric acid;sulfate?
The IUPAC name of aluminum;hydrogen sulfate;phosphane;sulfuric acid;sulfate (CID 172784585) is aluminum;hydrogen sulfate;phosphane;sulfuric acid;sulfate.
What is the SMILES notation for aluminum;hydrogen sulfate;phosphane;sulfuric acid;sulfate?
The canonical SMILES for aluminum;hydrogen sulfate;phosphane;sulfuric acid;sulfate is O=S(=O)(O)O.O=S(=O)([O-])O.O=S(=O)([O-])[O-].P.[Al+3].
What is the InChIKey of aluminum;hydrogen sulfate;phosphane;sulfuric acid;sulfate?
The InChIKey is OSHQIQCLXDETCE-UHFFFAOYSA-K. The full InChI is InChI=1S/Al.3H2O4S.H3P/c;3*1-5(2,3)4;/h;3*(H2,1,2,3,4);1H3/q+3;;;;/p-3.
What are the key properties of aluminum;hydrogen sulfate;phosphane;sulfuric acid;sulfate?
aluminum;hydrogen sulfate;phosphane;sulfuric acid;sulfate has a molecular weight of 352.19 g/mol, XLogP of -3.31, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;hydrogen sulfate;phosphane;sulfuric acid;sulfate is sourced from PubChem (CID 172784585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).