Iron hydroxide sulfate (Fe4(OH)2(SO4)5) (CED0173502)

Record Information

Version

1.0

Creation Date

2016-05-19 03:12:30 UTC

Update Date

2026-04-14 19:34:44 UTC

Accession Number

CHEM009863

Identification

Common Name

Iron hydroxide sulfate (Fe4(OH)2(SO4)5)

Class

Small Molecule

Description

Iron hydroxide sulfate (Fe4(OH)2(SO4)5) belongs to the transition metal sulfates, a subclass of transition metal oxoanionic compounds within the inorganic compounds. It is classified as a mixed metal/non-metal compound with the formula Fe4H2O22S5. With an average molecular weight of 737.67 g/mol, Iron hydroxide sulfate (Fe4(OH)2(SO4)5) is a heavy molecule.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Tetrairon(3+) ion dihydroxide pentasulfuric acid	Generator
Tetrairon(3+) ion dihydroxide pentasulphate	Generator
Tetrairon(3+) ion dihydroxide pentasulphuric acid	Generator
Monsel's solution	MeSH
Ferric subsulfate	MeSH
Ferric subsulfate solution	MeSH
Ferric subsulfuric acid	Generator
Ferric subsulphate	Generator
Ferric subsulphuric acid	Generator

Chemical Formula

Fe₄H₂O₂₂S₅

Average Molecular Mass

737.670 g/mol

Monoisotopic Mass

737.504 g/mol

CAS Registry Number

1310-45-8

IUPAC Name

tetrairon(3+) ion dihydroxide pentasulfate

Traditional Name

tetrairon(3+) ion dihydroxide pentasulfate

SMILES

[OH-].[OH-].[Fe+3].[Fe+3].[Fe+3].[Fe+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O

InChI Identifier

InChI=1S/4Fe.5H2O4S.2H2O/c;;;;5*1-5(2,3)4;;/h;;;;5*(H2,1,2,3,4);2*1H2/q4*+3;;;;;;;/p-12

InChI Key

GDPKWKCLDUOTMP-UHFFFAOYSA-B

Chemical Taxonomy

Description

Belongs to the class of inorganic compounds known as transition metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is a transition metal.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Transition metal oxoanionic compounds

Sub Class

Transition metal sulfates

Direct Parent

Transition metal sulfates

Alternative Parents

Substituents

Transition metal sulfate
Inorganic hydride
Inorganic oxide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
logP	-0.84	ChemAxon
pKa (Strongest Acidic)	-3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	80.26 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	11.53 m³·mol⁻¹	ChemAxon
Polarizability	5.81 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0000000900-fa4d32c7ebee7f49940c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0000000900-fa4d32c7ebee7f49940c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0000000900-fa4d32c7ebee7f49940c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0000000900-4fb797709c5901cb4b93	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0000000900-4fb797709c5901cb4b93	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0000000900-4fb797709c5901cb4b93	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	3464.99
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	2275.69
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	3048.11
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	3077.22
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	180.999
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	180.999
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	1557.92
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	2239.72
Click to view 3D structure	Carbonic anhydrase	P40881	Methanosarcina thermophila	Predicted (SEA)	107.354
Click to view 3D structure	Astrosclerin-3	A6YCJ1	Astrosclera willeyana	Predicted (SEA)	298.396
Click to view 3D structure	Dual specificity protein phosphatase 5	Q16690	Humans	Predicted (SEA)	10.3539
Click to view 3D structure	Carbonic anhydrase	P53615	Saccharomyces cerevisiae S288c	Predicted (SEA)	353.202
Click to view 3D structure	Carbonic anhydrase 2	P00921	Bos taurus	Predicted (SEA)	508.511
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	5581.79
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	2069.08
Click to view 3D structure	Beta-carbonic anhydrase 1	P9WPJ7	Mycobacterium tuberculosis	Predicted (SEA)	1617.32
Click to view 3D structure	Carbonic anhydrase 2	Q3I4V7	Cryptococcus neoformans	Predicted (SEA)	2112.05
Click to view 3D structure	Delta carbonic anhydrase	Q5U9J1	Conticribra weissflogii	Predicted (SEA)	503.217
Click to view 3D structure	Carbonic anhydrase	Q6FTL6	Candida glabrata CBS 138	Predicted (SEA)	1301.17
Click to view 3D structure	Carbonate dehydratase	B2V8E3	Sulfurihydrogenibium sp. (strain YO3AOP1)	Predicted (SEA)	609.637
Click to view 3D structure	Carbonic anhydrase	O24855	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	755.994
Click to view 3D structure	Carbonic anhydrase, alpha family	Q31FD6	Thiomicrospira crunogena	Predicted (SEA)	609.715
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	3325.87
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	4484.97
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	2260.97