aluminum;magnesium;iron(3+);dihydroxide;diphosphate

H2AlFeMgO10P2 — CID 173185000

IUPACaluminum;magnesium;iron(3+);dihydroxide;diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Al+3].[Fe+3].[Mg+2].[OH-].[OH-]
InChIInChI=1S/Al.Fe.Mg.2H3O4P.2H2O/c;;;2*1-5(2,3)4;;/h;;;2*(H3,1,2,3,4);2*1H2/q2*+3;+2;;;;/p-8
InChIKeyJSYBPSYVZHTFTN-UHFFFAOYSA-F
MW331.09 g/mol
LogP-6.77
Rot. Bonds

About aluminum;magnesium;iron(3+);dihydroxide;diphosphate

aluminum;magnesium;iron(3+);dihydroxide;diphosphate (PubChem CID 173185000) has the molecular formula H2AlFeMgO10P2 and a molecular weight of 331.09 g/mol. Its IUPAC name is aluminum;magnesium;iron(3+);dihydroxide;diphosphate.

Molecular Properties

Compound Namealuminum;magnesium;iron(3+);dihydroxide;diphosphate
PubChem CID173185000
Molecular FormulaH2AlFeMgO10P2
Molecular Weight331.09 g/mol
Exact Mass330.81
IUPAC Namealuminum;magnesium;iron(3+);dihydroxide;diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Al+3].[Fe+3].[Mg+2].[OH-].[OH-]
InChIInChI=1S/Al.Fe.Mg.2H3O4P.2H2O/c;;;2*1-5(2,3)4;;/h;;;2*(H3,1,2,3,4);2*1H2/q2*+3;+2;;;;/p-8
InChIKeyJSYBPSYVZHTFTN-UHFFFAOYSA-F
XLogP-6.77
TPSA232.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.09
LogP ≤ 5-6.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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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CID 157147932
trimagnesium;iron(3+);triphosphate
CID 173343441
aluminum;sodium;hydroxide;phosphate
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dialuminum;magnesium;bis(oxygen(2-));phosphate
CID 172798844
trialuminum;triphosphate
CID 23371115
bis(nickel(2+));hydroxide;phosphate
CID 11665794
aluminum;zinc;hydroxide;phosphate;hydrate
CID 19034492
aluminum;magnesium;hydride;phosphate;hydrate
CID 173369340
calcium;magnesium;nickel(2+);diphosphate;hydrate
CID 173185995
CID 158150177
CID 158150177
tetraaluminum;trifluoride;triphosphate
CID 173444901
hydron;iron(3+);phosphate
CID 173036063

Frequently Asked Questions

What is the IUPAC name of aluminum;magnesium;iron(3+);dihydroxide;diphosphate?
The IUPAC name of aluminum;magnesium;iron(3+);dihydroxide;diphosphate (CID 173185000) is aluminum;magnesium;iron(3+);dihydroxide;diphosphate.
What is the SMILES notation for aluminum;magnesium;iron(3+);dihydroxide;diphosphate?
The canonical SMILES for aluminum;magnesium;iron(3+);dihydroxide;diphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Al+3].[Fe+3].[Mg+2].[OH-].[OH-].
What is the InChIKey of aluminum;magnesium;iron(3+);dihydroxide;diphosphate?
The InChIKey is JSYBPSYVZHTFTN-UHFFFAOYSA-F. The full InChI is InChI=1S/Al.Fe.Mg.2H3O4P.2H2O/c;;;2*1-5(2,3)4;;/h;;;2*(H3,1,2,3,4);2*1H2/q2*+3;+2;;;;/p-8.
What are the key properties of aluminum;magnesium;iron(3+);dihydroxide;diphosphate?
aluminum;magnesium;iron(3+);dihydroxide;diphosphate has a molecular weight of 331.09 g/mol, XLogP of -6.77, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;magnesium;iron(3+);dihydroxide;diphosphate is sourced from PubChem (CID 173185000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).