azane;2-hydroxypropane-1,2,3-tricarboxylic acid;iron(3+)

C6H11FeNO7+3 — CID 118984355

IUPACazane;2-hydroxypropane-1,2,3-tricarboxylic acid;iron(3+)
SMILESN.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Fe+3]
InChIInChI=1S/C6H8O7.Fe.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3/q;+3;
InChIKeyFRHBOQMZUOWXQL-UHFFFAOYSA-N
MW265.00 g/mol
LogP-1.09
Rot. Bonds5

About azane;2-hydroxypropane-1,2,3-tricarboxylic acid;iron(3+)

azane;2-hydroxypropane-1,2,3-tricarboxylic acid;iron(3+) (PubChem CID 118984355) has the molecular formula C6H11FeNO7+3 and a molecular weight of 265.00 g/mol. Its IUPAC name is azane;2-hydroxypropane-1,2,3-tricarboxylic acid;iron(3+).

Molecular Properties

Compound Nameazane;2-hydroxypropane-1,2,3-tricarboxylic acid;iron(3+)
PubChem CID118984355
Molecular FormulaC6H11FeNO7+3
Molecular Weight265.00 g/mol
Exact Mass264.99
IUPAC Nameazane;2-hydroxypropane-1,2,3-tricarboxylic acid;iron(3+)
SMILESN.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Fe+3]
InChIInChI=1S/C6H8O7.Fe.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3/q;+3;
InChIKeyFRHBOQMZUOWXQL-UHFFFAOYSA-N
XLogP-1.09
TPSA167.13 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.00
LogP ≤ 5-1.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;iron(3+)?
The IUPAC name of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;iron(3+) (CID 118984355) is azane;2-hydroxypropane-1,2,3-tricarboxylic acid;iron(3+).
What is the SMILES notation for azane;2-hydroxypropane-1,2,3-tricarboxylic acid;iron(3+)?
The canonical SMILES for azane;2-hydroxypropane-1,2,3-tricarboxylic acid;iron(3+) is N.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Fe+3].
What is the InChIKey of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;iron(3+)?
The InChIKey is FRHBOQMZUOWXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.Fe.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3/q;+3;.
What are the key properties of azane;2-hydroxypropane-1,2,3-tricarboxylic acid;iron(3+)?
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;iron(3+) has a molecular weight of 265.00 g/mol, XLogP of -1.09, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxypropane-1,2,3-tricarboxylic acid;iron(3+) is sourced from PubChem (CID 118984355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).