iron;phosphoric acid

H6Fe2O8P2 — CID 174838016

IUPACiron;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)O.[Fe].[Fe]
InChIInChI=1S/2Fe.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4)
InChIKeyBHQRKKFKBAYFAG-UHFFFAOYSA-N
MW307.68 g/mol
LogP-1.86
Rot. Bonds

About iron;phosphoric acid

iron;phosphoric acid (PubChem CID 174838016) has the molecular formula H6Fe2O8P2 and a molecular weight of 307.68 g/mol. Its IUPAC name is iron;phosphoric acid.

Molecular Properties

Compound Nameiron;phosphoric acid
PubChem CID174838016
Molecular FormulaH6Fe2O8P2
Molecular Weight307.68 g/mol
Exact Mass307.82
IUPAC Nameiron;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)O.[Fe].[Fe]
InChIInChI=1S/2Fe.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4)
InChIKeyBHQRKKFKBAYFAG-UHFFFAOYSA-N
XLogP-1.86
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.68
LogP ≤ 5-1.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

iron;phosphoric acid
CID 175001141
iron;phosphoric acid;zinc
CID 159258122
azane;iron;phosphoric acid
CID 174725470
iron;phosphoric acid;zinc;tetrahydrate
CID 174998881
dilithium;hydride;iron;phosphoric acid
CID 175389418
iron;nickel;phosphane;phosphoric acid
CID 175517636
phosphoric acid;titanium
CID 173034953
phosphoric acid;octahydrate
CID 173160172
methane;phosphoric acid
CID 18515646
phosphane;phosphoric acid
CID 172840180
phosphoric acid;hydrate
CID 22023151
hydrogen peroxide;phosphoric acid
CID 18509931

Frequently Asked Questions

What is the IUPAC name of iron;phosphoric acid?
The IUPAC name of iron;phosphoric acid (CID 174838016) is iron;phosphoric acid.
What is the SMILES notation for iron;phosphoric acid?
The canonical SMILES for iron;phosphoric acid is O=P(O)(O)O.O=P(O)(O)O.[Fe].[Fe].
What is the InChIKey of iron;phosphoric acid?
The InChIKey is BHQRKKFKBAYFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/2Fe.2H3O4P/c;;2*1-5(2,3)4/h;;2*(H3,1,2,3,4).
What are the key properties of iron;phosphoric acid?
iron;phosphoric acid has a molecular weight of 307.68 g/mol, XLogP of -1.86, 0 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iron;phosphoric acid is sourced from PubChem (CID 174838016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).