azanium;zinc;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+);manganese(2+)

C6H9FeMnNO7Zn+5 — CID 21118477

IUPACazanium;zinc;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+);manganese(2+)
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Fe+3].[Mn+2].[NH4+].[Zn+2]
InChIInChI=1S/C6H8O7.Fe.Mn.H3N.Zn/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;+2;;+2/p-2
InChIKeyRJQOCJSVTPGRMZ-UHFFFAOYSA-L
MW383.31 g/mol
LogP-4.88
Rot. Bonds5

About azanium;zinc;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+);manganese(2+)

azanium;zinc;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+);manganese(2+) (PubChem CID 21118477) has the molecular formula C6H9FeMnNO7Zn+5 and a molecular weight of 383.31 g/mol. Its IUPAC name is azanium;zinc;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+);manganese(2+).

Molecular Properties

Compound Nameazanium;zinc;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+);manganese(2+)
PubChem CID21118477
Molecular FormulaC6H9FeMnNO7Zn+5
Molecular Weight383.31 g/mol
Exact Mass381.84
IUPAC Nameazanium;zinc;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+);manganese(2+)
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Fe+3].[Mn+2].[NH4+].[Zn+2]
InChIInChI=1S/C6H8O7.Fe.Mn.H3N.Zn/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;+2;;+2/p-2
InChIKeyRJQOCJSVTPGRMZ-UHFFFAOYSA-L
XLogP-4.88
TPSA177.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 5-4.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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dysprosium(3+);2-hydroxypropane-1,2,3-tricarboxylate
CID 25679
2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 22361291
bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate
CID 21120021
azane;tetrakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(zirconium(4+))
CID 173362553
dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate
CID 15251596
sodium;carbanide;2-hydroxypropane-1,2,3-tricarboxylate
CID 23509131
sodium;2-hydroxypropane-1,2,3-tricarboxylate;nickel(2+)
CID 172852177
nonasodium;tris(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
CID 172827703
bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate
CID 2735068
tricalcium;bis(2-hydroxypropane-1,2,3-tricarboxylate);octahydrate
CID 86269183

Frequently Asked Questions

What is the IUPAC name of azanium;zinc;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+);manganese(2+)?
The IUPAC name of azanium;zinc;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+);manganese(2+) (CID 21118477) is azanium;zinc;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+);manganese(2+).
What is the SMILES notation for azanium;zinc;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+);manganese(2+)?
The canonical SMILES for azanium;zinc;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+);manganese(2+) is O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Fe+3].[Mn+2].[NH4+].[Zn+2].
What is the InChIKey of azanium;zinc;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+);manganese(2+)?
The InChIKey is RJQOCJSVTPGRMZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H8O7.Fe.Mn.H3N.Zn/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;+2;;+2/p-2.
What are the key properties of azanium;zinc;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+);manganese(2+)?
azanium;zinc;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+);manganese(2+) has a molecular weight of 383.31 g/mol, XLogP of -4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;zinc;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+);manganese(2+) is sourced from PubChem (CID 21118477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).