azanium;2,3-dihydroxybutanedioate;iron(3+)

C4H8FeNO6+2 — CID 22027283

IUPACazanium;2,3-dihydroxybutanedioate;iron(3+)
SMILESO=C([O-])C(O)C(O)C(=O)[O-].[Fe+3].[NH4+]
InChIInChI=1S/C4H6O6.Fe.H3N/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;1H3/q;+3;/p-1
InChIKeyODUOISCAHQKPFA-UHFFFAOYSA-M
MW221.95 g/mol
LogP-4.42
Rot. Bonds3

About azanium;2,3-dihydroxybutanedioate;iron(3+)

azanium;2,3-dihydroxybutanedioate;iron(3+) (PubChem CID 22027283) has the molecular formula C4H8FeNO6+2 and a molecular weight of 221.95 g/mol. Its IUPAC name is azanium;2,3-dihydroxybutanedioate;iron(3+).

Molecular Properties

Compound Nameazanium;2,3-dihydroxybutanedioate;iron(3+)
PubChem CID22027283
Molecular FormulaC4H8FeNO6+2
Molecular Weight221.95 g/mol
Exact Mass221.97
IUPAC Nameazanium;2,3-dihydroxybutanedioate;iron(3+)
SMILESO=C([O-])C(O)C(O)C(=O)[O-].[Fe+3].[NH4+]
InChIInChI=1S/C4H6O6.Fe.H3N/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;1H3/q;+3;/p-1
InChIKeyODUOISCAHQKPFA-UHFFFAOYSA-M
XLogP-4.42
TPSA157.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.95
LogP ≤ 5-4.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azanium;cerium(3+);2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
CID 90475534
2,3-dihydroxybutanedioate
CID 19608871
dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
CID 3080629
2,3-dihydroxybutanedioate;manganese(2+)
CID 22027285
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
azanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride
CID 160595070
azanium 2,3,4-trihydroxy-4-oxobutanoate
CID 6432315
sodium;2,3-dihydroxybutanedioate;nickel(2+)
CID 159221608
dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate
CID 173203823
copper;2,3-dihydroxybutanedioate;tetrahydrate
CID 159915205
dicalcium;bis(2,3-dihydroxybutanedioate);tetrahydrate
CID 159194146
calcium;carbonic acid;2,3-dihydroxybutanedioate
CID 158616443

Frequently Asked Questions

What is the IUPAC name of azanium;2,3-dihydroxybutanedioate;iron(3+)?
The IUPAC name of azanium;2,3-dihydroxybutanedioate;iron(3+) (CID 22027283) is azanium;2,3-dihydroxybutanedioate;iron(3+).
What is the SMILES notation for azanium;2,3-dihydroxybutanedioate;iron(3+)?
The canonical SMILES for azanium;2,3-dihydroxybutanedioate;iron(3+) is O=C([O-])C(O)C(O)C(=O)[O-].[Fe+3].[NH4+].
What is the InChIKey of azanium;2,3-dihydroxybutanedioate;iron(3+)?
The InChIKey is ODUOISCAHQKPFA-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H6O6.Fe.H3N/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;1H3/q;+3;/p-1.
What are the key properties of azanium;2,3-dihydroxybutanedioate;iron(3+)?
azanium;2,3-dihydroxybutanedioate;iron(3+) has a molecular weight of 221.95 g/mol, XLogP of -4.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;2,3-dihydroxybutanedioate;iron(3+) is sourced from PubChem (CID 22027283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).