azane;iron;phosphoric acid

H12FeN2O8P2 — CID 174725470

IUPACazane;iron;phosphoric acid
SMILESN.N.O=P(O)(O)O.O=P(O)(O)O.[Fe]
InChIInChI=1S/Fe.2H3N.2H3O4P/c;;;2*1-5(2,3)4/h;2*1H3;2*(H3,1,2,3,4)
InChIKeyQGSFGTBRUZDMHS-UHFFFAOYSA-N
MW285.90 g/mol
LogP-1.54
Rot. Bonds

About azane;iron;phosphoric acid

azane;iron;phosphoric acid (PubChem CID 174725470) has the molecular formula H12FeN2O8P2 and a molecular weight of 285.90 g/mol. Its IUPAC name is azane;iron;phosphoric acid.

Molecular Properties

Compound Nameazane;iron;phosphoric acid
PubChem CID174725470
Molecular FormulaH12FeN2O8P2
Molecular Weight285.90 g/mol
Exact Mass285.94
IUPAC Nameazane;iron;phosphoric acid
SMILESN.N.O=P(O)(O)O.O=P(O)(O)O.[Fe]
InChIInChI=1S/Fe.2H3N.2H3O4P/c;;;2*1-5(2,3)4/h;2*1H3;2*(H3,1,2,3,4)
InChIKeyQGSFGTBRUZDMHS-UHFFFAOYSA-N
XLogP-1.54
TPSA225.52 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.90
LogP ≤ 5-1.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

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 174838016
azane;phosphoric acid
CID 174789402
iron;phosphoric acid
CID 175001141
CID 174726950
CID 174726950
CID 172998917
CID 172998917
azane;phosphoric acid;hydrate
CID 173222009
azane;phosphoric acid;dihydrochloride
CID 173049818
azane;methane;phosphoric acid
CID 174060347
iron;phosphoric acid;zinc
CID 159258122
azane;phosphoric acid;tungsten
CID 174566468
iron;nickel;phosphane;phosphoric acid
CID 175517636
dilithium;hydride;iron;phosphoric acid
CID 175389418

Frequently Asked Questions

What is the IUPAC name of azane;iron;phosphoric acid?
The IUPAC name of azane;iron;phosphoric acid (CID 174725470) is azane;iron;phosphoric acid.
What is the SMILES notation for azane;iron;phosphoric acid?
The canonical SMILES for azane;iron;phosphoric acid is N.N.O=P(O)(O)O.O=P(O)(O)O.[Fe].
What is the InChIKey of azane;iron;phosphoric acid?
The InChIKey is QGSFGTBRUZDMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/Fe.2H3N.2H3O4P/c;;;2*1-5(2,3)4/h;2*1H3;2*(H3,1,2,3,4).
What are the key properties of azane;iron;phosphoric acid?
azane;iron;phosphoric acid has a molecular weight of 285.90 g/mol, XLogP of -1.54, 0 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;iron;phosphoric acid is sourced from PubChem (CID 174725470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).