azanium;dipotassium;disodium;azane;hydrogen sulfate;sulfuric acid;dihydroxide;sulfate

H12K2N2Na2O14S3 — CID 172723674

IUPACazanium;dipotassium;disodium;azane;hydrogen sulfate;sulfuric acid;dihydroxide;sulfate
SMILESN.O=S(=O)(O)O.O=S(=O)([O-])O.O=S(=O)([O-])[O-].[K+].[K+].[NH4+].[Na+].[Na+].[OH-].[OH-]
InChIInChI=1S/2K.2H3N.2Na.3H2O4S.2H2O/c;;;;;;3*1-5(2,3)4;;/h;;2*1H3;;;3*(H2,1,2,3,4);2*1H2/q2*+1;;;2*+1;;;;;/p-4
InChIKeyGVXNRWQAYKNXCW-UHFFFAOYSA-J
MW484.47 g/mol
LogP-14.79
Rot. Bonds

About azanium;dipotassium;disodium;azane;hydrogen sulfate;sulfuric acid;dihydroxide;sulfate

azanium;dipotassium;disodium;azane;hydrogen sulfate;sulfuric acid;dihydroxide;sulfate (PubChem CID 172723674) has the molecular formula H12K2N2Na2O14S3 and a molecular weight of 484.47 g/mol. Its IUPAC name is azanium;dipotassium;disodium;azane;hydrogen sulfate;sulfuric acid;dihydroxide;sulfate.

Molecular Properties

Compound Nameazanium;dipotassium;disodium;azane;hydrogen sulfate;sulfuric acid;dihydroxide;sulfate
PubChem CID172723674
Molecular FormulaH12K2N2Na2O14S3
Molecular Weight484.47 g/mol
Exact Mass483.85
IUPAC Nameazanium;dipotassium;disodium;azane;hydrogen sulfate;sulfuric acid;dihydroxide;sulfate
SMILESN.O=S(=O)(O)O.O=S(=O)([O-])O.O=S(=O)([O-])[O-].[K+].[K+].[NH4+].[Na+].[Na+].[OH-].[OH-]
InChIInChI=1S/2K.2H3N.2Na.3H2O4S.2H2O/c;;;;;;3*1-5(2,3)4;;/h;;2*1H3;;;3*(H2,1,2,3,4);2*1H2/q2*+1;;;2*+1;;;;;/p-4
InChIKeyGVXNRWQAYKNXCW-UHFFFAOYSA-J
XLogP-14.79
TPSA363.79 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.47
LogP ≤ 5-14.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azanium;dipotassium;disodium;azane;hydrogen sulfate;sulfuric acid;dihydroxide;sulfate?
The IUPAC name of azanium;dipotassium;disodium;azane;hydrogen sulfate;sulfuric acid;dihydroxide;sulfate (CID 172723674) is azanium;dipotassium;disodium;azane;hydrogen sulfate;sulfuric acid;dihydroxide;sulfate.
What is the SMILES notation for azanium;dipotassium;disodium;azane;hydrogen sulfate;sulfuric acid;dihydroxide;sulfate?
The canonical SMILES for azanium;dipotassium;disodium;azane;hydrogen sulfate;sulfuric acid;dihydroxide;sulfate is N.O=S(=O)(O)O.O=S(=O)([O-])O.O=S(=O)([O-])[O-].[K+].[K+].[NH4+].[Na+].[Na+].[OH-].[OH-].
What is the InChIKey of azanium;dipotassium;disodium;azane;hydrogen sulfate;sulfuric acid;dihydroxide;sulfate?
The InChIKey is GVXNRWQAYKNXCW-UHFFFAOYSA-J. The full InChI is InChI=1S/2K.2H3N.2Na.3H2O4S.2H2O/c;;;;;;3*1-5(2,3)4;;/h;;2*1H3;;;3*(H2,1,2,3,4);2*1H2/q2*+1;;;2*+1;;;;;/p-4.
What are the key properties of azanium;dipotassium;disodium;azane;hydrogen sulfate;sulfuric acid;dihydroxide;sulfate?
azanium;dipotassium;disodium;azane;hydrogen sulfate;sulfuric acid;dihydroxide;sulfate has a molecular weight of 484.47 g/mol, XLogP of -14.79, 0 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;dipotassium;disodium;azane;hydrogen sulfate;sulfuric acid;dihydroxide;sulfate is sourced from PubChem (CID 172723674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).