magnesium;iron(3+);oxido hydrogen carbonate

C5H5FeMgO20 — CID 173050087

IUPACmagnesium;iron(3+);oxido hydrogen carbonate
SMILESO=C(O)O[O-].O=C(O)O[O-].O=C(O)O[O-].O=C(O)O[O-].O=C(O)O[O-].[Fe+3].[Mg+2]
InChIInChI=1S/5CH2O4.Fe.Mg/c5*2-1(3)5-4;;/h5*4H,(H,2,3);;/q;;;;;+3;+2/p-5
InChIKeyNOARSFJCKDVOML-UHFFFAOYSA-I
MW465.23 g/mol
LogP-5.60
Rot. Bonds

About magnesium;iron(3+);oxido hydrogen carbonate

magnesium;iron(3+);oxido hydrogen carbonate (PubChem CID 173050087) has the molecular formula C5H5FeMgO20 and a molecular weight of 465.23 g/mol. Its IUPAC name is magnesium;iron(3+);oxido hydrogen carbonate.

Molecular Properties

Compound Namemagnesium;iron(3+);oxido hydrogen carbonate
PubChem CID173050087
Molecular FormulaC5H5FeMgO20
Molecular Weight465.23 g/mol
Exact Mass464.86
IUPAC Namemagnesium;iron(3+);oxido hydrogen carbonate
SMILESO=C(O)O[O-].O=C(O)O[O-].O=C(O)O[O-].O=C(O)O[O-].O=C(O)O[O-].[Fe+3].[Mg+2]
InChIInChI=1S/5CH2O4.Fe.Mg/c5*2-1(3)5-4;;/h5*4H,(H,2,3);;/q;;;;;+3;+2/p-5
InChIKeyNOARSFJCKDVOML-UHFFFAOYSA-I
XLogP-5.60
TPSA347.95 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.23
LogP ≤ 5-5.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

aluminum oxido hydrogen carbonate
CID 54682965
cerium(3+);oxido hydrogen carbonate
CID 54723990
strontium oxido hydrogen carbonate
CID 174737263
lanthanum(3+);oxido hydrogen carbonate
CID 54687071
cerium(3+);oxido hydrogen carbonate
CID 159722511
cobalt(2+);oxido hydrogen carbonate;hydrate
CID 175469845
bis(lanthanum(3+));oxido hydrogen carbonate;carbonate
CID 159767634
diazanium;oxido carbonate
CID 22665386
carbonic acid;ruthenium
CID 87059075
magnesium;alumanyl hydrogen carbonate;hydride
CID 173054803
magnesium;carbonic acid;hydrogen carbonate
CID 174626115
calcium;magnesium;hydrogen carbonate
CID 18427045

Frequently Asked Questions

What is the IUPAC name of magnesium;iron(3+);oxido hydrogen carbonate?
The IUPAC name of magnesium;iron(3+);oxido hydrogen carbonate (CID 173050087) is magnesium;iron(3+);oxido hydrogen carbonate.
What is the SMILES notation for magnesium;iron(3+);oxido hydrogen carbonate?
The canonical SMILES for magnesium;iron(3+);oxido hydrogen carbonate is O=C(O)O[O-].O=C(O)O[O-].O=C(O)O[O-].O=C(O)O[O-].O=C(O)O[O-].[Fe+3].[Mg+2].
What is the InChIKey of magnesium;iron(3+);oxido hydrogen carbonate?
The InChIKey is NOARSFJCKDVOML-UHFFFAOYSA-I. The full InChI is InChI=1S/5CH2O4.Fe.Mg/c5*2-1(3)5-4;;/h5*4H,(H,2,3);;/q;;;;;+3;+2/p-5.
What are the key properties of magnesium;iron(3+);oxido hydrogen carbonate?
magnesium;iron(3+);oxido hydrogen carbonate has a molecular weight of 465.23 g/mol, XLogP of -5.60, 0 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;iron(3+);oxido hydrogen carbonate is sourced from PubChem (CID 173050087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).