potassium;sodium;permanganic acid;sulfonatooxy sulfate

HKMnNaO12S2 — CID 175104604

IUPACpotassium;sodium;permanganic acid;sulfonatooxy sulfate
SMILESO=S(=O)([O-])OOS(=O)(=O)[O-].O=[Mn](=O)(=O)O.[K+].[Na+]
InChIInChI=1S/K.Mn.Na.H2O8S2.H2O.3O/c;;;1-9(2,3)7-8-10(4,5)6;;;;/h;;;(H,1,2,3)(H,4,5,6);1H2;;;/q3*+1;;;;;/p-3
InChIKeyOUFROMFBOZCMBG-UHFFFAOYSA-K
MW374.16 g/mol
LogP-9.05
Rot. Bonds3

About potassium;sodium;permanganic acid;sulfonatooxy sulfate

potassium;sodium;permanganic acid;sulfonatooxy sulfate (PubChem CID 175104604) has the molecular formula HKMnNaO12S2 and a molecular weight of 374.16 g/mol. Its IUPAC name is potassium;sodium;permanganic acid;sulfonatooxy sulfate.

Molecular Properties

Compound Namepotassium;sodium;permanganic acid;sulfonatooxy sulfate
PubChem CID175104604
Molecular FormulaHKMnNaO12S2
Molecular Weight374.16 g/mol
Exact Mass373.78
IUPAC Namepotassium;sodium;permanganic acid;sulfonatooxy sulfate
SMILESO=S(=O)([O-])OOS(=O)(=O)[O-].O=[Mn](=O)(=O)O.[K+].[Na+]
InChIInChI=1S/K.Mn.Na.H2O8S2.H2O.3O/c;;;1-9(2,3)7-8-10(4,5)6;;;;/h;;;(H,1,2,3)(H,4,5,6);1H2;;;/q3*+1;;;;;/p-3
InChIKeyOUFROMFBOZCMBG-UHFFFAOYSA-K
XLogP-9.05
TPSA204.30 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.16
LogP ≤ 5-9.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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'}

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Related Compounds

dipotassium;sulfonatooxy sulfate
CID 516926
lithium;potassium;sulfonatooxy sulfate
CID 175555490
dipotassium;sulfonatooxy sulfate;sulfuric acid
CID 91756367
disodium;azane;sulfonatooxy sulfate
CID 174725660
dicalcium sulfonatooxy sulfate
CID 159780487
strontium sulfonatooxy sulfate
CID 21114005
bis(rubidium(1+));sulfonatooxy sulfate
CID 18406061
disodium;sulfonatooxy sulfate;sulfurous acid
CID 22019774
trisodium;hydrogen peroxide;hydrogen sulfite;sulfonatooxy sulfate
CID 173499808
CID 174413776
CID 174413776
diazanium;sulfonatooxy sulfate;bis(sulfur dioxide)
CID 19430598
potassium hydroxy sulfate
CID 23712892

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;permanganic acid;sulfonatooxy sulfate?
The IUPAC name of potassium;sodium;permanganic acid;sulfonatooxy sulfate (CID 175104604) is potassium;sodium;permanganic acid;sulfonatooxy sulfate.
What is the SMILES notation for potassium;sodium;permanganic acid;sulfonatooxy sulfate?
The canonical SMILES for potassium;sodium;permanganic acid;sulfonatooxy sulfate is O=S(=O)([O-])OOS(=O)(=O)[O-].O=[Mn](=O)(=O)O.[K+].[Na+].
What is the InChIKey of potassium;sodium;permanganic acid;sulfonatooxy sulfate?
The InChIKey is OUFROMFBOZCMBG-UHFFFAOYSA-K. The full InChI is InChI=1S/K.Mn.Na.H2O8S2.H2O.3O/c;;;1-9(2,3)7-8-10(4,5)6;;;;/h;;;(H,1,2,3)(H,4,5,6);1H2;;;/q3*+1;;;;;/p-3.
What are the key properties of potassium;sodium;permanganic acid;sulfonatooxy sulfate?
potassium;sodium;permanganic acid;sulfonatooxy sulfate has a molecular weight of 374.16 g/mol, XLogP of -9.05, 3 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;permanganic acid;sulfonatooxy sulfate is sourced from PubChem (CID 175104604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).