hydrogen peroxide;hydroxy hydrogen sulfate;hydrate

H6O8S — CID 158756435

IUPAChydrogen peroxide;hydroxy hydrogen sulfate;hydrate
SMILESO.O=S(=O)(O)OO.OO
InChIInChI=1S/H2O5S.H2O2.H2O/c1-5-6(2,3)4;1-2;/h1H,(H,2,3,4);1-2H;1H2
InChIKeySWMIWDVXINXCFQ-UHFFFAOYSA-N
MW166.11 g/mol
LogP-1.53
Rot. Bonds1

About hydrogen peroxide;hydroxy hydrogen sulfate;hydrate

hydrogen peroxide;hydroxy hydrogen sulfate;hydrate (PubChem CID 158756435) has the molecular formula H6O8S and a molecular weight of 166.11 g/mol. Its IUPAC name is hydrogen peroxide;hydroxy hydrogen sulfate;hydrate.

Molecular Properties

Compound Namehydrogen peroxide;hydroxy hydrogen sulfate;hydrate
PubChem CID158756435
Molecular FormulaH6O8S
Molecular Weight166.11 g/mol
Exact Mass165.98
IUPAC Namehydrogen peroxide;hydroxy hydrogen sulfate;hydrate
SMILESO.O=S(=O)(O)OO.OO
InChIInChI=1S/H2O5S.H2O2.H2O/c1-5-6(2,3)4;1-2;/h1H,(H,2,3,4);1-2H;1H2
InChIKeySWMIWDVXINXCFQ-UHFFFAOYSA-N
XLogP-1.53
TPSA155.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

azane;hydrogen peroxide;hydroxy hydrogen sulfate
CID 173220225
hydrogen peroxide;hydroxy hydrogen sulfate;sulfuric acid
CID 158735820
potassium;hydride;hydroxy hydrogen sulfate;selane
CID 174900610
sodium;formaldehyde;hydride;hydroxy hydrogen sulfate
CID 173280993
azane;hydroxy hydrogen sulfate;2-methylprop-1-ene
CID 174737556
sodium;hydride;hydrogen peroxide;hydroxy sulfo sulfate
CID 173090604
hydroxy hydrogen sulfate;penta-1,4-diene
CID 174393320
sulfuric acid;tridecahydrate
CID 71366893
aluminum;lithium;hydroxy sulfate;hydrate
CID 158565872
(hydroperoxy-hydroxy-oxo-λ6-sulfanylidene)magnesium;methane
CID 169429895
sulfooxy hydrogen sulfate
CID 24413
sodium;hydroxy sulfate;methane;dihydrate
CID 173150022

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;hydroxy hydrogen sulfate;hydrate?
The IUPAC name of hydrogen peroxide;hydroxy hydrogen sulfate;hydrate (CID 158756435) is hydrogen peroxide;hydroxy hydrogen sulfate;hydrate.
What is the SMILES notation for hydrogen peroxide;hydroxy hydrogen sulfate;hydrate?
The canonical SMILES for hydrogen peroxide;hydroxy hydrogen sulfate;hydrate is O.O=S(=O)(O)OO.OO.
What is the InChIKey of hydrogen peroxide;hydroxy hydrogen sulfate;hydrate?
The InChIKey is SWMIWDVXINXCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/H2O5S.H2O2.H2O/c1-5-6(2,3)4;1-2;/h1H,(H,2,3,4);1-2H;1H2.
What are the key properties of hydrogen peroxide;hydroxy hydrogen sulfate;hydrate?
hydrogen peroxide;hydroxy hydrogen sulfate;hydrate has a molecular weight of 166.11 g/mol, XLogP of -1.53, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;hydroxy hydrogen sulfate;hydrate is sourced from PubChem (CID 158756435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).