iron;tridecahydrate

H26Fe11O13 — CID 173126990

IUPACiron;tridecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe]
InChIInChI=1S/11Fe.13H2O/h;;;;;;;;;;;13*1H2
InChIKeyNGDBICXWNLFXNF-UHFFFAOYSA-N
MW848.49 g/mol
LogP-10.75
Rot. Bonds

About iron;tridecahydrate

iron;tridecahydrate (PubChem CID 173126990) has the molecular formula H26Fe11O13 and a molecular weight of 848.49 g/mol. Its IUPAC name is iron;tridecahydrate.

Molecular Properties

Compound Nameiron;tridecahydrate
PubChem CID173126990
Molecular FormulaH26Fe11O13
Molecular Weight848.49 g/mol
Exact Mass849.42
IUPAC Nameiron;tridecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe]
InChIInChI=1S/11Fe.13H2O/h;;;;;;;;;;;13*1H2
InChIKeyNGDBICXWNLFXNF-UHFFFAOYSA-N
XLogP-10.75
TPSA409.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500848.49
LogP ≤ 5-10.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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iron;trihydrate
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iron;λ2-plumbane;hydrate
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cobalt;iron;hydrate
CID 156591869
chromium;iron;trihydrate
CID 173372946
CID 170843835
CID 170843835
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CID 53244352
iron;heptahydrate;hydrochloride
CID 173205623

Frequently Asked Questions

What is the IUPAC name of iron;tridecahydrate?
The IUPAC name of iron;tridecahydrate (CID 173126990) is iron;tridecahydrate.
What is the SMILES notation for iron;tridecahydrate?
The canonical SMILES for iron;tridecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O.[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].
What is the InChIKey of iron;tridecahydrate?
The InChIKey is NGDBICXWNLFXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/11Fe.13H2O/h;;;;;;;;;;;13*1H2.
What are the key properties of iron;tridecahydrate?
iron;tridecahydrate has a molecular weight of 848.49 g/mol, XLogP of -10.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iron;tridecahydrate is sourced from PubChem (CID 173126990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).