trimagnesium;iron(3+);triphosphate

FeMg3O12P3 — CID 173343441

IUPACtrimagnesium;iron(3+);triphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Fe+3].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/Fe.3Mg.3H3O4P/c;;;;3*1-5(2,3)4/h;;;;3*(H3,1,2,3,4)/q+3;3*+2;;;/p-9
InChIKeyBGDKVCFXXWUCGD-UHFFFAOYSA-E
MW413.67 g/mol
LogP-9.62
Rot. Bonds

About trimagnesium;iron(3+);triphosphate

trimagnesium;iron(3+);triphosphate (PubChem CID 173343441) has the molecular formula FeMg3O12P3 and a molecular weight of 413.67 g/mol. Its IUPAC name is trimagnesium;iron(3+);triphosphate.

Molecular Properties

Compound Nametrimagnesium;iron(3+);triphosphate
PubChem CID173343441
Molecular FormulaFeMg3O12P3
Molecular Weight413.67 g/mol
Exact Mass412.75
IUPAC Nametrimagnesium;iron(3+);triphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Fe+3].[Mg+2].[Mg+2].[Mg+2]
InChIInChI=1S/Fe.3Mg.3H3O4P/c;;;;3*1-5(2,3)4/h;;;;3*(H3,1,2,3,4)/q+3;3*+2;;;/p-9
InChIKeyBGDKVCFXXWUCGD-UHFFFAOYSA-E
XLogP-9.62
TPSA258.75 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.67
LogP ≤ 5-9.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze trimagnesium;iron(3+);triphosphate 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

aluminum;magnesium;iron(3+);dihydroxide;diphosphate
CID 173185000
hydron;iron(3+);phosphate
CID 173036063
iron(3+);methane;phosphate
CID 88850558
dimagnesium;hydroxide;phosphate
CID 157147932
magnesium;potassium;phosphate
CID 14367919
trilithium;iron(3+);diphosphate
CID 102600810
CID 86747219
CID 86747219
CID 158150177
CID 158150177
magnesium;disodium;chloride;phosphate
CID 21257942
CID 173065619
CID 173065619
magnesium;strontium;europium(3+);phosphate
CID 159256954
dialuminum;magnesium;bis(oxygen(2-));phosphate
CID 172798844

Frequently Asked Questions

What is the IUPAC name of trimagnesium;iron(3+);triphosphate?
The IUPAC name of trimagnesium;iron(3+);triphosphate (CID 173343441) is trimagnesium;iron(3+);triphosphate.
What is the SMILES notation for trimagnesium;iron(3+);triphosphate?
The canonical SMILES for trimagnesium;iron(3+);triphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Fe+3].[Mg+2].[Mg+2].[Mg+2].
What is the InChIKey of trimagnesium;iron(3+);triphosphate?
The InChIKey is BGDKVCFXXWUCGD-UHFFFAOYSA-E. The full InChI is InChI=1S/Fe.3Mg.3H3O4P/c;;;;3*1-5(2,3)4/h;;;;3*(H3,1,2,3,4)/q+3;3*+2;;;/p-9.
What are the key properties of trimagnesium;iron(3+);triphosphate?
trimagnesium;iron(3+);triphosphate has a molecular weight of 413.67 g/mol, XLogP of -9.62, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for trimagnesium;iron(3+);triphosphate is sourced from PubChem (CID 173343441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).