iron(2+);oxygen(2-);propane-1,2,3-triol

C3H8FeO4 — CID 157365497

IUPACiron(2+);oxygen(2-);propane-1,2,3-triol
SMILESOCC(O)CO.[Fe+2].[O-2]
InChIInChI=1S/C3H8O3.Fe.O/c4-1-3(6)2-5;;/h3-6H,1-2H2;;/q;+2;-2
InChIKeyBJCZRGQRMCMBMU-UHFFFAOYSA-N
MW163.94 g/mol
LogP-1.79
Rot. Bonds2

About iron(2+);oxygen(2-);propane-1,2,3-triol

iron(2+);oxygen(2-);propane-1,2,3-triol (PubChem CID 157365497) has the molecular formula C3H8FeO4 and a molecular weight of 163.94 g/mol. Its IUPAC name is iron(2+);oxygen(2-);propane-1,2,3-triol.

Molecular Properties

Compound Nameiron(2+);oxygen(2-);propane-1,2,3-triol
PubChem CID157365497
Molecular FormulaC3H8FeO4
Molecular Weight163.94 g/mol
Exact Mass163.98
IUPAC Nameiron(2+);oxygen(2-);propane-1,2,3-triol
SMILESOCC(O)CO.[Fe+2].[O-2]
InChIInChI=1S/C3H8O3.Fe.O/c4-1-3(6)2-5;;/h3-6H,1-2H2;;/q;+2;-2
InChIKeyBJCZRGQRMCMBMU-UHFFFAOYSA-N
XLogP-1.79
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.94
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of iron(2+);oxygen(2-);propane-1,2,3-triol?
The IUPAC name of iron(2+);oxygen(2-);propane-1,2,3-triol (CID 157365497) is iron(2+);oxygen(2-);propane-1,2,3-triol.
What is the SMILES notation for iron(2+);oxygen(2-);propane-1,2,3-triol?
The canonical SMILES for iron(2+);oxygen(2-);propane-1,2,3-triol is OCC(O)CO.[Fe+2].[O-2].
What is the InChIKey of iron(2+);oxygen(2-);propane-1,2,3-triol?
The InChIKey is BJCZRGQRMCMBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.Fe.O/c4-1-3(6)2-5;;/h3-6H,1-2H2;;/q;+2;-2.
What are the key properties of iron(2+);oxygen(2-);propane-1,2,3-triol?
iron(2+);oxygen(2-);propane-1,2,3-triol has a molecular weight of 163.94 g/mol, XLogP of -1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);oxygen(2-);propane-1,2,3-triol is sourced from PubChem (CID 157365497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).