iron(4+);hydroxide;phosphate;hydrate

H3FeO6P — CID 173185954

IUPACiron(4+);hydroxide;phosphate;hydrate
SMILESO.O=P([O-])([O-])[O-].[Fe+4].[OH-]
InChIInChI=1S/Fe.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+4;;;/p-4
InChIKeyJZZVLTOCAMXWCY-UHFFFAOYSA-J
MW185.84 g/mol
LogP-3.83
Rot. Bonds

About iron(4+);hydroxide;phosphate;hydrate

iron(4+);hydroxide;phosphate;hydrate (PubChem CID 173185954) has the molecular formula H3FeO6P and a molecular weight of 185.84 g/mol. Its IUPAC name is iron(4+);hydroxide;phosphate;hydrate.

Molecular Properties

Compound Nameiron(4+);hydroxide;phosphate;hydrate
PubChem CID173185954
Molecular FormulaH3FeO6P
Molecular Weight185.84 g/mol
Exact Mass185.90
IUPAC Nameiron(4+);hydroxide;phosphate;hydrate
SMILESO.O=P([O-])([O-])[O-].[Fe+4].[OH-]
InChIInChI=1S/Fe.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+4;;;/p-4
InChIKeyJZZVLTOCAMXWCY-UHFFFAOYSA-J
XLogP-3.83
TPSA147.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.84
LogP ≤ 5-3.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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phosphate octahydrate
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CID 71347627
calcium;magnesium;nickel(2+);diphosphate;hydrate
CID 173185995
tris(titanium(4+));tetraphosphate;dihydrate
CID 172694967
cerium(3+);phosphate;dihydrate
CID 158488180
octacalcium;phosphate;pentahydrate
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CID 157147932
tris(cobalt(2+));tris(nickel(2+));tetraphosphate
CID 19845457
iron(4+);chloride;phosphate
CID 174456268
tris(iron(2+));diphosphate;dihydrate
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Frequently Asked Questions

What is the IUPAC name of iron(4+);hydroxide;phosphate;hydrate?
The IUPAC name of iron(4+);hydroxide;phosphate;hydrate (CID 173185954) is iron(4+);hydroxide;phosphate;hydrate.
What is the SMILES notation for iron(4+);hydroxide;phosphate;hydrate?
The canonical SMILES for iron(4+);hydroxide;phosphate;hydrate is O.O=P([O-])([O-])[O-].[Fe+4].[OH-].
What is the InChIKey of iron(4+);hydroxide;phosphate;hydrate?
The InChIKey is JZZVLTOCAMXWCY-UHFFFAOYSA-J. The full InChI is InChI=1S/Fe.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+4;;;/p-4.
What are the key properties of iron(4+);hydroxide;phosphate;hydrate?
iron(4+);hydroxide;phosphate;hydrate has a molecular weight of 185.84 g/mol, XLogP of -3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iron(4+);hydroxide;phosphate;hydrate is sourced from PubChem (CID 173185954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).