iron;phosphoric acid

H12FeO16P4 — CID 175001141

IUPACiron;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.[Fe]
InChIInChI=1S/Fe.4H3O4P/c;4*1-5(2,3)4/h;4*(H3,1,2,3,4)
InChIKeyFCSHGIBXWJUMDG-UHFFFAOYSA-N
MW447.82 g/mol
LogP-3.72
Rot. Bonds

About iron;phosphoric acid

iron;phosphoric acid (PubChem CID 175001141) has the molecular formula H12FeO16P4 and a molecular weight of 447.82 g/mol. Its IUPAC name is iron;phosphoric acid.

Molecular Properties

Compound Nameiron;phosphoric acid
PubChem CID175001141
Molecular FormulaH12FeO16P4
Molecular Weight447.82 g/mol
Exact Mass447.84
IUPAC Nameiron;phosphoric acid
SMILESO=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.[Fe]
InChIInChI=1S/Fe.4H3O4P/c;4*1-5(2,3)4/h;4*(H3,1,2,3,4)
InChIKeyFCSHGIBXWJUMDG-UHFFFAOYSA-N
XLogP-3.72
TPSA311.04 Ų
H-Bond Donors12
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.82
LogP ≤ 5-3.72
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iron;phosphoric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

iron;phosphoric acid
CID 174838016
azane;iron;phosphoric acid
CID 174725470
iron;phosphoric acid;zinc
CID 159258122
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 175001141) 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.O=P(O)(O)O.O=P(O)(O)O.[Fe].
What is the InChIKey of iron;phosphoric acid?
The InChIKey is FCSHGIBXWJUMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/Fe.4H3O4P/c;4*1-5(2,3)4/h;4*(H3,1,2,3,4).
What are the key properties of iron;phosphoric acid?
iron;phosphoric acid has a molecular weight of 447.82 g/mol, XLogP of -3.72, 0 rotatable bonds, 12 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iron;phosphoric acid is sourced from PubChem (CID 175001141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).