sodium;hydrogen sulfate;iron;oxalic acid

C2H3FeNaO8S — CID 171782917

IUPACsodium;hydrogen sulfate;iron;oxalic acid
SMILESO=C(O)C(=O)O.O=S(=O)([O-])O.[Fe].[Na+]
InChIInChI=1S/C2H2O4.Fe.Na.H2O4S/c3-1(4)2(5)6;;;1-5(2,3)4/h(H,3,4)(H,5,6);;;(H2,1,2,3,4)/q;;+1;/p-1
InChIKeyWHDZVNBUGHLOAF-UHFFFAOYSA-M
MW265.94 g/mol
LogP-4.84
Rot. Bonds

About sodium;hydrogen sulfate;iron;oxalic acid

sodium;hydrogen sulfate;iron;oxalic acid (PubChem CID 171782917) has the molecular formula C2H3FeNaO8S and a molecular weight of 265.94 g/mol. Its IUPAC name is sodium;hydrogen sulfate;iron;oxalic acid.

Molecular Properties

Compound Namesodium;hydrogen sulfate;iron;oxalic acid
PubChem CID171782917
Molecular FormulaC2H3FeNaO8S
Molecular Weight265.94 g/mol
Exact Mass265.88
IUPAC Namesodium;hydrogen sulfate;iron;oxalic acid
SMILESO=C(O)C(=O)O.O=S(=O)([O-])O.[Fe].[Na+]
InChIInChI=1S/C2H2O4.Fe.Na.H2O4S/c3-1(4)2(5)6;;;1-5(2,3)4/h(H,3,4)(H,5,6);;;(H2,1,2,3,4)/q;;+1;/p-1
InChIKeyWHDZVNBUGHLOAF-UHFFFAOYSA-M
XLogP-4.84
TPSA152.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.94
LogP ≤ 5-4.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;hydrogen sulfate;iron;oxalic acid?
The IUPAC name of sodium;hydrogen sulfate;iron;oxalic acid (CID 171782917) is sodium;hydrogen sulfate;iron;oxalic acid.
What is the SMILES notation for sodium;hydrogen sulfate;iron;oxalic acid?
The canonical SMILES for sodium;hydrogen sulfate;iron;oxalic acid is O=C(O)C(=O)O.O=S(=O)([O-])O.[Fe].[Na+].
What is the InChIKey of sodium;hydrogen sulfate;iron;oxalic acid?
The InChIKey is WHDZVNBUGHLOAF-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H2O4.Fe.Na.H2O4S/c3-1(4)2(5)6;;;1-5(2,3)4/h(H,3,4)(H,5,6);;;(H2,1,2,3,4)/q;;+1;/p-1.
What are the key properties of sodium;hydrogen sulfate;iron;oxalic acid?
sodium;hydrogen sulfate;iron;oxalic acid has a molecular weight of 265.94 g/mol, XLogP of -4.84, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydrogen sulfate;iron;oxalic acid is sourced from PubChem (CID 171782917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).