hydrogen peroxide;hydroxy hydrogen sulfate;sulfuric acid

H6O11S2 — CID 158735820

IUPAChydrogen peroxide;hydroxy hydrogen sulfate;sulfuric acid
SMILESO=S(=O)(O)O.O=S(=O)(O)OO.OO
InChIInChI=1S/H2O5S.H2O4S.H2O2/c1-5-6(2,3)4;1-5(2,3)4;1-2/h1H,(H,2,3,4);(H2,1,2,3,4);1-2H
InChIKeyILQXPAOKJNXJCK-UHFFFAOYSA-N
MW246.17 g/mol
LogP-1.36
Rot. Bonds1

About hydrogen peroxide;hydroxy hydrogen sulfate;sulfuric acid

hydrogen peroxide;hydroxy hydrogen sulfate;sulfuric acid (PubChem CID 158735820) has the molecular formula H6O11S2 and a molecular weight of 246.17 g/mol. Its IUPAC name is hydrogen peroxide;hydroxy hydrogen sulfate;sulfuric acid.

Molecular Properties

Compound Namehydrogen peroxide;hydroxy hydrogen sulfate;sulfuric acid
PubChem CID158735820
Molecular FormulaH6O11S2
Molecular Weight246.17 g/mol
Exact Mass245.94
IUPAC Namehydrogen peroxide;hydroxy hydrogen sulfate;sulfuric acid
SMILESO=S(=O)(O)O.O=S(=O)(O)OO.OO
InChIInChI=1S/H2O5S.H2O4S.H2O2/c1-5-6(2,3)4;1-5(2,3)4;1-2/h1H,(H,2,3,4);(H2,1,2,3,4);1-2H
InChIKeyILQXPAOKJNXJCK-UHFFFAOYSA-N
XLogP-1.36
TPSA198.89 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.17
LogP ≤ 5-1.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 174393320
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CID 19962519
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CID 160829970
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CID 5149461

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;hydroxy hydrogen sulfate;sulfuric acid?
The IUPAC name of hydrogen peroxide;hydroxy hydrogen sulfate;sulfuric acid (CID 158735820) is hydrogen peroxide;hydroxy hydrogen sulfate;sulfuric acid.
What is the SMILES notation for hydrogen peroxide;hydroxy hydrogen sulfate;sulfuric acid?
The canonical SMILES for hydrogen peroxide;hydroxy hydrogen sulfate;sulfuric acid is O=S(=O)(O)O.O=S(=O)(O)OO.OO.
What is the InChIKey of hydrogen peroxide;hydroxy hydrogen sulfate;sulfuric acid?
The InChIKey is ILQXPAOKJNXJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/H2O5S.H2O4S.H2O2/c1-5-6(2,3)4;1-5(2,3)4;1-2/h1H,(H,2,3,4);(H2,1,2,3,4);1-2H.
What are the key properties of hydrogen peroxide;hydroxy hydrogen sulfate;sulfuric acid?
hydrogen peroxide;hydroxy hydrogen sulfate;sulfuric acid has a molecular weight of 246.17 g/mol, XLogP of -1.36, 1 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;hydroxy hydrogen sulfate;sulfuric acid is sourced from PubChem (CID 158735820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).