hydrogen sulfate;zirconium(4+)

H4O16S4Zr — CID 11213772

IUPAChydrogen sulfate;zirconium(4+)
SMILESO=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.[Zr+4]
InChIInChI=1S/4H2O4S.Zr/c4*1-5(2,3)4;/h4*(H2,1,2,3,4);/q;;;;+4/p-4
InChIKeyVLKXTTDBMHCVHM-UHFFFAOYSA-J
MW479.51 g/mol
LogP-3.98
Rot. Bonds

About hydrogen sulfate;zirconium(4+)

hydrogen sulfate;zirconium(4+) (PubChem CID 11213772) has the molecular formula H4O16S4Zr and a molecular weight of 479.51 g/mol. Its IUPAC name is hydrogen sulfate;zirconium(4+).

Molecular Properties

Compound Namehydrogen sulfate;zirconium(4+)
PubChem CID11213772
Molecular FormulaH4O16S4Zr
Molecular Weight479.51 g/mol
Exact Mass477.74
IUPAC Namehydrogen sulfate;zirconium(4+)
SMILESO=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.[Zr+4]
InChIInChI=1S/4H2O4S.Zr/c4*1-5(2,3)4;/h4*(H2,1,2,3,4);/q;;;;+4/p-4
InChIKeyVLKXTTDBMHCVHM-UHFFFAOYSA-J
XLogP-3.98
TPSA309.72 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.51
LogP ≤ 5-3.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hydrogen sulfate;zirconium(4+)?
The IUPAC name of hydrogen sulfate;zirconium(4+) (CID 11213772) is hydrogen sulfate;zirconium(4+).
What is the SMILES notation for hydrogen sulfate;zirconium(4+)?
The canonical SMILES for hydrogen sulfate;zirconium(4+) is O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.[Zr+4].
What is the InChIKey of hydrogen sulfate;zirconium(4+)?
The InChIKey is VLKXTTDBMHCVHM-UHFFFAOYSA-J. The full InChI is InChI=1S/4H2O4S.Zr/c4*1-5(2,3)4;/h4*(H2,1,2,3,4);/q;;;;+4/p-4.
What are the key properties of hydrogen sulfate;zirconium(4+)?
hydrogen sulfate;zirconium(4+) has a molecular weight of 479.51 g/mol, XLogP of -3.98, 0 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;zirconium(4+) is sourced from PubChem (CID 11213772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).