dipotassium;sulfonatooxy sulfate;sulfuric acid

H2K2O12S3 — CID 91756367

IUPACdipotassium;sulfonatooxy sulfate;sulfuric acid
SMILESO=S(=O)(O)O.O=S(=O)([O-])OOS(=O)(=O)[O-].[K+].[K+]
InChIInChI=1S/2K.H2O8S2.H2O4S/c;;1-9(2,3)7-8-10(4,5)6;1-5(2,3)4/h;;(H,1,2,3)(H,4,5,6);(H2,1,2,3,4)/q2*+1;;/p-2
InChIKeyGVDZRXUHIYPWEP-UHFFFAOYSA-L
MW368.40 g/mol
LogP-8.79
Rot. Bonds3

About dipotassium;sulfonatooxy sulfate;sulfuric acid

dipotassium;sulfonatooxy sulfate;sulfuric acid (PubChem CID 91756367) has the molecular formula H2K2O12S3 and a molecular weight of 368.40 g/mol. Its IUPAC name is dipotassium;sulfonatooxy sulfate;sulfuric acid.

Molecular Properties

Compound Namedipotassium;sulfonatooxy sulfate;sulfuric acid
PubChem CID91756367
Molecular FormulaH2K2O12S3
Molecular Weight368.40 g/mol
Exact Mass367.80
IUPAC Namedipotassium;sulfonatooxy sulfate;sulfuric acid
SMILESO=S(=O)(O)O.O=S(=O)([O-])OOS(=O)(=O)[O-].[K+].[K+]
InChIInChI=1S/2K.H2O8S2.H2O4S/c;;1-9(2,3)7-8-10(4,5)6;1-5(2,3)4/h;;(H,1,2,3)(H,4,5,6);(H2,1,2,3,4)/q2*+1;;/p-2
InChIKeyGVDZRXUHIYPWEP-UHFFFAOYSA-L
XLogP-8.79
TPSA207.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 5-8.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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
iron(2+);sulfonatooxy sulfate;sulfuric acid;sulfurous acid
CID 173385794
bis(rubidium(1+));sulfonatooxy sulfate
CID 18406061
dicalcium sulfonatooxy sulfate
CID 159780487
strontium sulfonatooxy sulfate
CID 21114005
potassium;sodium;permanganic acid;sulfonatooxy sulfate
CID 175104604
disodium;azane;sulfonatooxy sulfate
CID 174725660
CID 174413776
CID 174413776
disodium;sulfonatooxy sulfate;sulfurous acid
CID 22019774
potassium;sulfo sulfate;sulfuric acid
CID 158562224
magnesium;dipotassium;sulfuric acid;disulfate
CID 57348205

Frequently Asked Questions

What is the IUPAC name of dipotassium;sulfonatooxy sulfate;sulfuric acid?
The IUPAC name of dipotassium;sulfonatooxy sulfate;sulfuric acid (CID 91756367) is dipotassium;sulfonatooxy sulfate;sulfuric acid.
What is the SMILES notation for dipotassium;sulfonatooxy sulfate;sulfuric acid?
The canonical SMILES for dipotassium;sulfonatooxy sulfate;sulfuric acid is O=S(=O)(O)O.O=S(=O)([O-])OOS(=O)(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;sulfonatooxy sulfate;sulfuric acid?
The InChIKey is GVDZRXUHIYPWEP-UHFFFAOYSA-L. The full InChI is InChI=1S/2K.H2O8S2.H2O4S/c;;1-9(2,3)7-8-10(4,5)6;1-5(2,3)4/h;;(H,1,2,3)(H,4,5,6);(H2,1,2,3,4)/q2*+1;;/p-2.
What are the key properties of dipotassium;sulfonatooxy sulfate;sulfuric acid?
dipotassium;sulfonatooxy sulfate;sulfuric acid has a molecular weight of 368.40 g/mol, XLogP of -8.79, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;sulfonatooxy sulfate;sulfuric acid is sourced from PubChem (CID 91756367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).