hydroxy(oxo)alumane;bis(iron(3+));tris(oxygen(2-))

H2Al2Fe2O7 — CID 18401230

IUPAChydroxy(oxo)alumane;bis(iron(3+));tris(oxygen(2-))
SMILESO=[Al]O.O=[Al]O.[Fe+3].[Fe+3].[O-2].[O-2].[O-2]
InChIInChI=1S/2Al.2Fe.2H2O.5O/h;;;;2*1H2;;;;;/q2*+1;2*+3;;;;;3*-2/p-2
InChIKeyWGBLGXUUBRJQMX-UHFFFAOYSA-L
MW279.66 g/mol
LogP-2.47
Rot. Bonds

About hydroxy(oxo)alumane;bis(iron(3+));tris(oxygen(2-))

hydroxy(oxo)alumane;bis(iron(3+));tris(oxygen(2-)) (PubChem CID 18401230) has the molecular formula H2Al2Fe2O7 and a molecular weight of 279.66 g/mol. Its IUPAC name is hydroxy(oxo)alumane;bis(iron(3+));tris(oxygen(2-)).

Molecular Properties

Compound Namehydroxy(oxo)alumane;bis(iron(3+));tris(oxygen(2-))
PubChem CID18401230
Molecular FormulaH2Al2Fe2O7
Molecular Weight279.66 g/mol
Exact Mass279.81
IUPAC Namehydroxy(oxo)alumane;bis(iron(3+));tris(oxygen(2-))
SMILESO=[Al]O.O=[Al]O.[Fe+3].[Fe+3].[O-2].[O-2].[O-2]
InChIInChI=1S/2Al.2Fe.2H2O.5O/h;;;;2*1H2;;;;;/q2*+1;2*+3;;;;;3*-2/p-2
InChIKeyWGBLGXUUBRJQMX-UHFFFAOYSA-L
XLogP-2.47
TPSA160.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.66
LogP ≤ 5-2.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 173022383
CID 173022383
lithium;hydroxy(oxo)alumane;chloride
CID 23710762
acetic acid;hydroxy(oxo)alumane
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manganese;niobium
CID 159849706
manganese;pentakis(oxygen(2-))
CID 16737649
Mn>/=71%,BET:5-7m2/g
CID 171034096
trisodium;dioxido(oxo)silane;hydroxy(oxo)alumane;prop-2-enoate
CID 173186622
potassium;hydride;niobium;oxalic acid
CID 175228480
azane;oxalic acid;oxotitanium;hydrate
CID 45051728
arsenic acid
CID 27052
iron(3+);tris(oxygen(2-));titanium(3+)
CID 159465435
cobalt(2+);iron(3+);oxygen(2-)
CID 159215823

Frequently Asked Questions

What is the IUPAC name of hydroxy(oxo)alumane;bis(iron(3+));tris(oxygen(2-))?
The IUPAC name of hydroxy(oxo)alumane;bis(iron(3+));tris(oxygen(2-)) (CID 18401230) is hydroxy(oxo)alumane;bis(iron(3+));tris(oxygen(2-)).
What is the SMILES notation for hydroxy(oxo)alumane;bis(iron(3+));tris(oxygen(2-))?
The canonical SMILES for hydroxy(oxo)alumane;bis(iron(3+));tris(oxygen(2-)) is O=[Al]O.O=[Al]O.[Fe+3].[Fe+3].[O-2].[O-2].[O-2].
What is the InChIKey of hydroxy(oxo)alumane;bis(iron(3+));tris(oxygen(2-))?
The InChIKey is WGBLGXUUBRJQMX-UHFFFAOYSA-L. The full InChI is InChI=1S/2Al.2Fe.2H2O.5O/h;;;;2*1H2;;;;;/q2*+1;2*+3;;;;;3*-2/p-2.
What are the key properties of hydroxy(oxo)alumane;bis(iron(3+));tris(oxygen(2-))?
hydroxy(oxo)alumane;bis(iron(3+));tris(oxygen(2-)) has a molecular weight of 279.66 g/mol, XLogP of -2.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(oxo)alumane;bis(iron(3+));tris(oxygen(2-)) is sourced from PubChem (CID 18401230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).