disodium;hydroxymethanone;bis(iron(3+))

C8H8Fe2Na2O16 — CID 173448481

About disodium;hydroxymethanone;bis(iron(3+))

disodium;hydroxymethanone;bis(iron(3+)) (PubChem CID 173448481) has the molecular formula C8H8Fe2Na2O16 and a molecular weight of 517.81 g/mol. Its IUPAC name is disodium;hydroxymethanone;bis(iron(3+)).

Molecular Properties

• Compound Name: disodium;hydroxymethanone;bis(iron(3+))
• PubChem CID: 173448481
• Molecular Formula: C8H8Fe2Na2O16
• Molecular Weight: 517.81 g/mol
• Exact Mass: 517.83
• IUPAC Name: disodium;hydroxymethanone;bis(iron(3+))
• SMILES: O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.[Fe+3].[Fe+3].[Na+].[Na+]
• InChI: InChI=1S/8CHO2.2Fe.2Na/c8*2-1-3;;;;/h8*(H,2,3);;;;/q8*-1;2*+3;2*+1
• InChIKey: ZBEDCPGIIBWJLR-UHFFFAOYSA-N
• XLogP: -9.10
• TPSA: 298.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.81
LogP ≤ 5	-9.10
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of disodium;hydroxymethanone;bis(iron(3+))?

The IUPAC name of disodium;hydroxymethanone;bis(iron(3+)) (CID 173448481) is disodium;hydroxymethanone;bis(iron(3+)).

What is the SMILES notation for disodium;hydroxymethanone;bis(iron(3+))?

The canonical SMILES for disodium;hydroxymethanone;bis(iron(3+)) is O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.O=[C-]O.[Fe+3].[Fe+3].[Na+].[Na+].

What is the InChIKey of disodium;hydroxymethanone;bis(iron(3+))?

The InChIKey is ZBEDCPGIIBWJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/8CHO2.2Fe.2Na/c8*2-1-3;;;;/h8*(H,2,3);;;;/q8*-1;2*+3;2*+1.

What are the key properties of disodium;hydroxymethanone;bis(iron(3+))?

disodium;hydroxymethanone;bis(iron(3+)) has a molecular weight of 517.81 g/mol, XLogP of -9.10, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;hydroxymethanone;bis(iron(3+)) is sourced from PubChem (CID 173448481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).