azanium;sodium;iron(2+);disulfate

H4FeNNaO8S2 — CID 173414593

IUPACazanium;sodium;iron(2+);disulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Fe+2].[NH4+].[Na+]
InChIInChI=1S/Fe.H3N.Na.2H2O4S/c;;;2*1-5(2,3)4/h;1H3;;2*(H2,1,2,3,4)/q+2;;+1;;/p-3
InChIKeyKNTAIAHFFJYGKE-UHFFFAOYSA-K
MW289.00 g/mol
LogP-5.30
Rot. Bonds

About azanium;sodium;iron(2+);disulfate

azanium;sodium;iron(2+);disulfate (PubChem CID 173414593) has the molecular formula H4FeNNaO8S2 and a molecular weight of 289.00 g/mol. Its IUPAC name is azanium;sodium;iron(2+);disulfate.

Molecular Properties

Compound Nameazanium;sodium;iron(2+);disulfate
PubChem CID173414593
Molecular FormulaH4FeNNaO8S2
Molecular Weight289.00 g/mol
Exact Mass288.86
IUPAC Nameazanium;sodium;iron(2+);disulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Fe+2].[NH4+].[Na+]
InChIInChI=1S/Fe.H3N.Na.2H2O4S/c;;;2*1-5(2,3)4/h;1H3;;2*(H2,1,2,3,4)/q+2;;+1;;/p-3
InChIKeyKNTAIAHFFJYGKE-UHFFFAOYSA-K
XLogP-5.30
TPSA197.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.00
LogP ≤ 5-5.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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azanium sulfate
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sodium;iron(2+);hypochlorite;sulfate
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diazanium;iron(3+);sulfate
CID 154825065
trisodium;bromide;sulfate
CID 173076247
copper;tetrasodium;trisulfate
CID 158226440
sodium;sulfate;heptahydrate
CID 18522796
iron(2+);manganese(2+);disulfate
CID 162189705
azanium;cesium;sulfate
CID 19710911
tetraazanium;bis(copper(1+));trisulfate
CID 173461918

Frequently Asked Questions

What is the IUPAC name of azanium;sodium;iron(2+);disulfate?
The IUPAC name of azanium;sodium;iron(2+);disulfate (CID 173414593) is azanium;sodium;iron(2+);disulfate.
What is the SMILES notation for azanium;sodium;iron(2+);disulfate?
The canonical SMILES for azanium;sodium;iron(2+);disulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Fe+2].[NH4+].[Na+].
What is the InChIKey of azanium;sodium;iron(2+);disulfate?
The InChIKey is KNTAIAHFFJYGKE-UHFFFAOYSA-K. The full InChI is InChI=1S/Fe.H3N.Na.2H2O4S/c;;;2*1-5(2,3)4/h;1H3;;2*(H2,1,2,3,4)/q+2;;+1;;/p-3.
What are the key properties of azanium;sodium;iron(2+);disulfate?
azanium;sodium;iron(2+);disulfate has a molecular weight of 289.00 g/mol, XLogP of -5.30, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;sodium;iron(2+);disulfate is sourced from PubChem (CID 173414593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).