diazanium;sodium;hydrogen sulfite;bis(iron(2+));trisulfate

H9Fe2N2NaO15S4 — CID 173376554

IUPACdiazanium;sodium;hydrogen sulfite;bis(iron(2+));trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S([O-])O.[Fe+2].[Fe+2].[NH4+].[NH4+].[Na+]
InChIInChI=1S/2Fe.2H3N.Na.3H2O4S.H2O3S/c;;;;;3*1-5(2,3)4;1-4(2)3/h;;2*1H3;;3*(H2,1,2,3,4);(H2,1,2,3)/q2*+2;;;+1;;;;/p-5
InChIKeyWWSLZWRSRLVCCL-UHFFFAOYSA-I
MW540.02 g/mol
LogP-6.92
Rot. Bonds

About diazanium;sodium;hydrogen sulfite;bis(iron(2+));trisulfate

diazanium;sodium;hydrogen sulfite;bis(iron(2+));trisulfate (PubChem CID 173376554) has the molecular formula H9Fe2N2NaO15S4 and a molecular weight of 540.02 g/mol. Its IUPAC name is diazanium;sodium;hydrogen sulfite;bis(iron(2+));trisulfate.

Molecular Properties

Compound Namediazanium;sodium;hydrogen sulfite;bis(iron(2+));trisulfate
PubChem CID173376554
Molecular FormulaH9Fe2N2NaO15S4
Molecular Weight540.02 g/mol
Exact Mass539.75
IUPAC Namediazanium;sodium;hydrogen sulfite;bis(iron(2+));trisulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S([O-])O.[Fe+2].[Fe+2].[NH4+].[NH4+].[Na+]
InChIInChI=1S/2Fe.2H3N.Na.3H2O4S.H2O3S/c;;;;;3*1-5(2,3)4;1-4(2)3/h;;2*1H3;;3*(H2,1,2,3,4);(H2,1,2,3)/q2*+2;;;+1;;;;/p-5
InChIKeyWWSLZWRSRLVCCL-UHFFFAOYSA-I
XLogP-6.92
TPSA374.14 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.02
LogP ≤ 5-6.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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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Frequently Asked Questions

What is the IUPAC name of diazanium;sodium;hydrogen sulfite;bis(iron(2+));trisulfate?
The IUPAC name of diazanium;sodium;hydrogen sulfite;bis(iron(2+));trisulfate (CID 173376554) is diazanium;sodium;hydrogen sulfite;bis(iron(2+));trisulfate.
What is the SMILES notation for diazanium;sodium;hydrogen sulfite;bis(iron(2+));trisulfate?
The canonical SMILES for diazanium;sodium;hydrogen sulfite;bis(iron(2+));trisulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S([O-])O.[Fe+2].[Fe+2].[NH4+].[NH4+].[Na+].
What is the InChIKey of diazanium;sodium;hydrogen sulfite;bis(iron(2+));trisulfate?
The InChIKey is WWSLZWRSRLVCCL-UHFFFAOYSA-I. The full InChI is InChI=1S/2Fe.2H3N.Na.3H2O4S.H2O3S/c;;;;;3*1-5(2,3)4;1-4(2)3/h;;2*1H3;;3*(H2,1,2,3,4);(H2,1,2,3)/q2*+2;;;+1;;;;/p-5.
What are the key properties of diazanium;sodium;hydrogen sulfite;bis(iron(2+));trisulfate?
diazanium;sodium;hydrogen sulfite;bis(iron(2+));trisulfate has a molecular weight of 540.02 g/mol, XLogP of -6.92, 0 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;sodium;hydrogen sulfite;bis(iron(2+));trisulfate is sourced from PubChem (CID 173376554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).