aluminum;iron(2+);phosphate

AlFeO4P+2 — CID 18314842

IUPACaluminum;iron(2+);phosphate
SMILESO=P([O-])([O-])[O-].[Al+3].[Fe+2]
InChIInChI=1S/Al.Fe.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q+3;+2;/p-3
InChIKeyKJAZZOWIUGBRCT-UHFFFAOYSA-K
MW177.80 g/mol
LogP-3.21
Rot. Bonds

About aluminum;iron(2+);phosphate

aluminum;iron(2+);phosphate (PubChem CID 18314842) has the molecular formula AlFeO4P+2 and a molecular weight of 177.80 g/mol. Its IUPAC name is aluminum;iron(2+);phosphate.

Molecular Properties

Compound Namealuminum;iron(2+);phosphate
PubChem CID18314842
Molecular FormulaAlFeO4P+2
Molecular Weight177.80 g/mol
Exact Mass177.87
IUPAC Namealuminum;iron(2+);phosphate
SMILESO=P([O-])([O-])[O-].[Al+3].[Fe+2]
InChIInChI=1S/Al.Fe.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q+3;+2;/p-3
InChIKeyKJAZZOWIUGBRCT-UHFFFAOYSA-K
XLogP-3.21
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.80
LogP ≤ 5-3.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trialuminum;triphosphate
CID 23371115
aluminum;bis(indium(3+));triphosphate
CID 174896322
iron(2+);vanadium;phosphate
CID 161404420
CID 19041851
CID 19041851
tris(iron(2+));diphosphate;dihydrate
CID 162235567
dilithium;bis(iron(2+));diphosphate
CID 157234237
tetraaluminum;trifluoride;triphosphate
CID 173444901
CID 22993124
CID 22993124
dialuminum;magnesium;bis(oxygen(2-));phosphate
CID 172798844
lithium;iron(2+);zirconium(4+);phosphate
CID 175737318
trialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate
CID 172871694
azane;iron(2+);manganese(2+);phosphate
CID 172802270

Frequently Asked Questions

What is the IUPAC name of aluminum;iron(2+);phosphate?
The IUPAC name of aluminum;iron(2+);phosphate (CID 18314842) is aluminum;iron(2+);phosphate.
What is the SMILES notation for aluminum;iron(2+);phosphate?
The canonical SMILES for aluminum;iron(2+);phosphate is O=P([O-])([O-])[O-].[Al+3].[Fe+2].
What is the InChIKey of aluminum;iron(2+);phosphate?
The InChIKey is KJAZZOWIUGBRCT-UHFFFAOYSA-K. The full InChI is InChI=1S/Al.Fe.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q+3;+2;/p-3.
What are the key properties of aluminum;iron(2+);phosphate?
aluminum;iron(2+);phosphate has a molecular weight of 177.80 g/mol, XLogP of -3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;iron(2+);phosphate is sourced from PubChem (CID 18314842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).