sodium;hydrogen peroxide;hydrogen sulfate

H3NaO6S — CID 159927283

IUPACsodium;hydrogen peroxide;hydrogen sulfate
SMILESO=S(=O)([O-])O.OO.[Na+]
InChIInChI=1S/Na.H2O4S.H2O2/c;1-5(2,3)4;1-2/h;(H2,1,2,3,4);1-2H/q+1;;/p-1
InChIKeyNZELWFGWQQDXHT-UHFFFAOYSA-M
MW154.07 g/mol
LogP-3.97
Rot. Bonds

About sodium;hydrogen peroxide;hydrogen sulfate

sodium;hydrogen peroxide;hydrogen sulfate (PubChem CID 159927283) has the molecular formula H3NaO6S and a molecular weight of 154.07 g/mol. Its IUPAC name is sodium;hydrogen peroxide;hydrogen sulfate.

Molecular Properties

Compound Namesodium;hydrogen peroxide;hydrogen sulfate
PubChem CID159927283
Molecular FormulaH3NaO6S
Molecular Weight154.07 g/mol
Exact Mass153.95
IUPAC Namesodium;hydrogen peroxide;hydrogen sulfate
SMILESO=S(=O)([O-])O.OO.[Na+]
InChIInChI=1S/Na.H2O4S.H2O2/c;1-5(2,3)4;1-2/h;(H2,1,2,3,4);1-2H/q+1;;/p-1
InChIKeyNZELWFGWQQDXHT-UHFFFAOYSA-M
XLogP-3.97
TPSA117.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.07
LogP ≤ 5-3.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze sodium;hydrogen peroxide;hydrogen sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 20581843
CID 20581843
disodium;hydrogen sulfate;hydroxide;hydrochloride
CID 158787681
sodium;azane;hydrogen sulfate;hydrochloride
CID 173374550
sodium;hydrogen sulfate;iron;oxalic acid
CID 171782917
strontium hydrogen sulfate
CID 160697720
hydrogen sulfate;zirconium(4+)
CID 11213772
sodium;hydrogen sulfate;phosphorous acid
CID 160651784
hydrogen sulfate;hydron;silver
CID 173307708
tetrasodium;sulfuric acid;disulfate
CID 172828652
sodium;sulfuric acid;sulfate
CID 19758473
sodium;acetic acid;azane;hydrogen sulfate;hydrochloride
CID 173196508
sodium;hydrogen sulfate;nitrous acid
CID 173241300

Frequently Asked Questions

What is the IUPAC name of sodium;hydrogen peroxide;hydrogen sulfate?
The IUPAC name of sodium;hydrogen peroxide;hydrogen sulfate (CID 159927283) is sodium;hydrogen peroxide;hydrogen sulfate.
What is the SMILES notation for sodium;hydrogen peroxide;hydrogen sulfate?
The canonical SMILES for sodium;hydrogen peroxide;hydrogen sulfate is O=S(=O)([O-])O.OO.[Na+].
What is the InChIKey of sodium;hydrogen peroxide;hydrogen sulfate?
The InChIKey is NZELWFGWQQDXHT-UHFFFAOYSA-M. The full InChI is InChI=1S/Na.H2O4S.H2O2/c;1-5(2,3)4;1-2/h;(H2,1,2,3,4);1-2H/q+1;;/p-1.
What are the key properties of sodium;hydrogen peroxide;hydrogen sulfate?
sodium;hydrogen peroxide;hydrogen sulfate has a molecular weight of 154.07 g/mol, XLogP of -3.97, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydrogen peroxide;hydrogen sulfate is sourced from PubChem (CID 159927283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).