iron(3+);bis(tetraoxido-λ5-arsane);arsorite

H2As3FeO11-8 — CID 158855588

IUPACiron(3+);bis(tetraoxido-λ5-arsane);arsorite
SMILES[Fe+3].[O-][AsH]([O-])([O-])[O-].[O-][AsH]([O-])([O-])[O-].[O-][As]([O-])[O-]
InChIInChI=1S/2AsHO4.AsO3.Fe/c2*2-1(3,4)5;2-1(3)4;/h2*1H;;/q2*-4;-3;+3
InChIKeyIZZVJOSUCKRKRF-UHFFFAOYSA-N
MW458.62 g/mol
LogP-14.76
Rot. Bonds

About iron(3+);bis(tetraoxido-λ5-arsane);arsorite

iron(3+);bis(tetraoxido-λ5-arsane);arsorite (PubChem CID 158855588) has the molecular formula H2As3FeO11-8 and a molecular weight of 458.62 g/mol. Its IUPAC name is iron(3+);bis(tetraoxido-λ5-arsane);arsorite.

Molecular Properties

Compound Nameiron(3+);bis(tetraoxido-λ5-arsane);arsorite
PubChem CID158855588
Molecular FormulaH2As3FeO11-8
Molecular Weight458.62 g/mol
Exact Mass458.66
IUPAC Nameiron(3+);bis(tetraoxido-λ5-arsane);arsorite
SMILES[Fe+3].[O-][AsH]([O-])([O-])[O-].[O-][AsH]([O-])([O-])[O-].[O-][As]([O-])[O-]
InChIInChI=1S/2AsHO4.AsO3.Fe/c2*2-1(3,4)5;2-1(3)4;/h2*1H;;/q2*-4;-3;+3
InChIKeyIZZVJOSUCKRKRF-UHFFFAOYSA-N
XLogP-14.76
TPSA253.66 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms15
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.62
LogP ≤ 5-14.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iron(3+);bis(tetraoxido-λ5-arsane);arsorite?
The IUPAC name of iron(3+);bis(tetraoxido-λ5-arsane);arsorite (CID 158855588) is iron(3+);bis(tetraoxido-λ5-arsane);arsorite.
What is the SMILES notation for iron(3+);bis(tetraoxido-λ5-arsane);arsorite?
The canonical SMILES for iron(3+);bis(tetraoxido-λ5-arsane);arsorite is [Fe+3].[O-][AsH]([O-])([O-])[O-].[O-][AsH]([O-])([O-])[O-].[O-][As]([O-])[O-].
What is the InChIKey of iron(3+);bis(tetraoxido-λ5-arsane);arsorite?
The InChIKey is IZZVJOSUCKRKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/2AsHO4.AsO3.Fe/c2*2-1(3,4)5;2-1(3)4;/h2*1H;;/q2*-4;-3;+3.
What are the key properties of iron(3+);bis(tetraoxido-λ5-arsane);arsorite?
iron(3+);bis(tetraoxido-λ5-arsane);arsorite has a molecular weight of 458.62 g/mol, XLogP of -14.76, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for iron(3+);bis(tetraoxido-λ5-arsane);arsorite is sourced from PubChem (CID 158855588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).