tris(iron(2+));diphosphate;dihydrate

H4Fe3O10P2 — CID 162235567

IUPACtris(iron(2+));diphosphate;dihydrate
SMILESO.O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Fe+2].[Fe+2].[Fe+2]
InChIInChI=1S/3Fe.2H3O4P.2H2O/c;;;2*1-5(2,3)4;;/h;;;2*(H3,1,2,3,4);2*1H2/q3*+2;;;;/p-6
InChIKeyZVZVYWJPAXJXCF-UHFFFAOYSA-H
MW393.51 g/mol
LogP-7.31
Rot. Bonds

About tris(iron(2+));diphosphate;dihydrate

tris(iron(2+));diphosphate;dihydrate (PubChem CID 162235567) has the molecular formula H4Fe3O10P2 and a molecular weight of 393.51 g/mol. Its IUPAC name is tris(iron(2+));diphosphate;dihydrate.

Molecular Properties

Compound Nametris(iron(2+));diphosphate;dihydrate
PubChem CID162235567
Molecular FormulaH4Fe3O10P2
Molecular Weight393.51 g/mol
Exact Mass393.73
IUPAC Nametris(iron(2+));diphosphate;dihydrate
SMILESO.O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Fe+2].[Fe+2].[Fe+2]
InChIInChI=1S/3Fe.2H3O4P.2H2O/c;;;2*1-5(2,3)4;;/h;;;2*(H3,1,2,3,4);2*1H2/q3*+2;;;;/p-6
InChIKeyZVZVYWJPAXJXCF-UHFFFAOYSA-H
XLogP-7.31
TPSA235.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 5-7.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tris(iron(2+));diphosphate;dihydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phosphate octahydrate
CID 22485829
calcium;iron(2+);manganese(2+);diphosphate;hydrate
CID 173186000
cobalt(2+);iron(2+);manganese(2+);diphosphate;hydrate
CID 175542462
iron(2+);vanadium;phosphate
CID 161404420
aluminum;iron(2+);phosphate
CID 18314842
octacalcium;phosphate;pentahydrate
CID 22051766
trisodium;phosphate;dodecahydrate
CID 516998
zirconium(3+);phosphate;hydrate
CID 173357752
cerium(3+);phosphate;dihydrate
CID 158488180
tris(titanium(4+));tetraphosphate;dihydrate
CID 172694967
trisodium;phosphate;pentahydrate
CID 19993446
dilithium;bis(iron(2+));diphosphate
CID 157234237

Frequently Asked Questions

What is the IUPAC name of tris(iron(2+));diphosphate;dihydrate?
The IUPAC name of tris(iron(2+));diphosphate;dihydrate (CID 162235567) is tris(iron(2+));diphosphate;dihydrate.
What is the SMILES notation for tris(iron(2+));diphosphate;dihydrate?
The canonical SMILES for tris(iron(2+));diphosphate;dihydrate is O.O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Fe+2].[Fe+2].[Fe+2].
What is the InChIKey of tris(iron(2+));diphosphate;dihydrate?
The InChIKey is ZVZVYWJPAXJXCF-UHFFFAOYSA-H. The full InChI is InChI=1S/3Fe.2H3O4P.2H2O/c;;;2*1-5(2,3)4;;/h;;;2*(H3,1,2,3,4);2*1H2/q3*+2;;;;/p-6.
What are the key properties of tris(iron(2+));diphosphate;dihydrate?
tris(iron(2+));diphosphate;dihydrate has a molecular weight of 393.51 g/mol, XLogP of -7.31, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tris(iron(2+));diphosphate;dihydrate is sourced from PubChem (CID 162235567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).