trisodium;hydrogen peroxide;hydrogen sulfite;sulfonatooxy sulfate

H3Na3O13S3 — CID 173499808

IUPACtrisodium;hydrogen peroxide;hydrogen sulfite;sulfonatooxy sulfate
SMILESO=S(=O)([O-])OOS(=O)(=O)[O-].O=S([O-])O.OO.[Na+].[Na+].[Na+]
InChIInChI=1S/3Na.H2O8S2.H2O3S.H2O2/c;;;1-9(2,3)7-8-10(4,5)6;1-4(2)3;1-2/h;;;(H,1,2,3)(H,4,5,6);(H2,1,2,3);1-2H/q3*+1;;;/p-3
InChIKeyRVXHVURHJKAELZ-UHFFFAOYSA-K
MW376.18 g/mol
LogP-11.78
Rot. Bonds3

About trisodium;hydrogen peroxide;hydrogen sulfite;sulfonatooxy sulfate

trisodium;hydrogen peroxide;hydrogen sulfite;sulfonatooxy sulfate (PubChem CID 173499808) has the molecular formula H3Na3O13S3 and a molecular weight of 376.18 g/mol. Its IUPAC name is trisodium;hydrogen peroxide;hydrogen sulfite;sulfonatooxy sulfate.

Molecular Properties

Compound Nametrisodium;hydrogen peroxide;hydrogen sulfite;sulfonatooxy sulfate
PubChem CID173499808
Molecular FormulaH3Na3O13S3
Molecular Weight376.18 g/mol
Exact Mass375.84
IUPAC Nametrisodium;hydrogen peroxide;hydrogen sulfite;sulfonatooxy sulfate
SMILESO=S(=O)([O-])OOS(=O)(=O)[O-].O=S([O-])O.OO.[Na+].[Na+].[Na+]
InChIInChI=1S/3Na.H2O8S2.H2O3S.H2O2/c;;;1-9(2,3)7-8-10(4,5)6;1-4(2)3;1-2/h;;;(H,1,2,3)(H,4,5,6);(H2,1,2,3);1-2H/q3*+1;;;/p-3
InChIKeyRVXHVURHJKAELZ-UHFFFAOYSA-K
XLogP-11.78
TPSA233.68 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.18
LogP ≤ 5-11.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

disodium;sulfonatooxy sulfate;sulfurous acid
CID 22019774
iron(2+);sulfonatooxy sulfate;sulfuric acid;sulfurous acid
CID 173385794
copper;sodium;hydrogen sulfite;sulfate
CID 160627892
disodium;azane;sulfonatooxy sulfate
CID 174725660
diazanium;sodium;hydrogen sulfite;bis(iron(2+));trisulfate
CID 173376554
strontium sulfonatooxy sulfate
CID 21114005
dicalcium sulfonatooxy sulfate
CID 159780487
dipotassium;sulfonatooxy sulfate
CID 516926
bis(rubidium(1+));sulfonatooxy sulfate
CID 18406061
lithium;potassium;sulfonatooxy sulfate
CID 175555490
dipotassium;sulfonatooxy sulfate;sulfuric acid
CID 91756367
potassium;sodium;permanganic acid;sulfonatooxy sulfate
CID 175104604

Frequently Asked Questions

What is the IUPAC name of trisodium;hydrogen peroxide;hydrogen sulfite;sulfonatooxy sulfate?
The IUPAC name of trisodium;hydrogen peroxide;hydrogen sulfite;sulfonatooxy sulfate (CID 173499808) is trisodium;hydrogen peroxide;hydrogen sulfite;sulfonatooxy sulfate.
What is the SMILES notation for trisodium;hydrogen peroxide;hydrogen sulfite;sulfonatooxy sulfate?
The canonical SMILES for trisodium;hydrogen peroxide;hydrogen sulfite;sulfonatooxy sulfate is O=S(=O)([O-])OOS(=O)(=O)[O-].O=S([O-])O.OO.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;hydrogen peroxide;hydrogen sulfite;sulfonatooxy sulfate?
The InChIKey is RVXHVURHJKAELZ-UHFFFAOYSA-K. The full InChI is InChI=1S/3Na.H2O8S2.H2O3S.H2O2/c;;;1-9(2,3)7-8-10(4,5)6;1-4(2)3;1-2/h;;;(H,1,2,3)(H,4,5,6);(H2,1,2,3);1-2H/q3*+1;;;/p-3.
What are the key properties of trisodium;hydrogen peroxide;hydrogen sulfite;sulfonatooxy sulfate?
trisodium;hydrogen peroxide;hydrogen sulfite;sulfonatooxy sulfate has a molecular weight of 376.18 g/mol, XLogP of -11.78, 3 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;hydrogen peroxide;hydrogen sulfite;sulfonatooxy sulfate is sourced from PubChem (CID 173499808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).