aluminum;heptakis(2-aminoacetate);zirconium(4+);tetrahydrate

C14H36AlN7O18Zr — CID 175035825

IUPACaluminum;heptakis(2-aminoacetate);zirconium(4+);tetrahydrate
SMILESNCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].O.O.O.O.[Al+3].[Zr+4]
InChIInChI=1S/7C2H5NO2.Al.4H2O.Zr/c7*3-1-2(4)5;;;;;;/h7*1,3H2,(H,4,5);;4*1H2;/q;;;;;;;+3;;;;;+4/p-7
InChIKeyRFBJJDBFKOYOLA-UHFFFAOYSA-G
MW708.68 g/mol
LogP-19.82
Rot. Bonds7

About aluminum;heptakis(2-aminoacetate);zirconium(4+);tetrahydrate

aluminum;heptakis(2-aminoacetate);zirconium(4+);tetrahydrate (PubChem CID 175035825) has the molecular formula C14H36AlN7O18Zr and a molecular weight of 708.68 g/mol. Its IUPAC name is aluminum;heptakis(2-aminoacetate);zirconium(4+);tetrahydrate.

Molecular Properties

Compound Namealuminum;heptakis(2-aminoacetate);zirconium(4+);tetrahydrate
PubChem CID175035825
Molecular FormulaC14H36AlN7O18Zr
Molecular Weight708.68 g/mol
Exact Mass707.10
IUPAC Namealuminum;heptakis(2-aminoacetate);zirconium(4+);tetrahydrate
SMILESNCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].O.O.O.O.[Al+3].[Zr+4]
InChIInChI=1S/7C2H5NO2.Al.4H2O.Zr/c7*3-1-2(4)5;;;;;;/h7*1,3H2,(H,4,5);;4*1H2;/q;;;;;;;+3;;;;;+4/p-7
InChIKeyRFBJJDBFKOYOLA-UHFFFAOYSA-G
XLogP-19.82
TPSA589.05 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500708.68
LogP ≤ 5-19.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

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Related Compounds

aluminum tris(2-aminoacetate)
CID 6452712
tetrakis(2-aminoacetate);zirconium(4+);hydrochloride
CID 173139995
aluminum;tris(2-aminoacetate);tetrahydrochloride
CID 173183956
copper;bis(2-aminoacetate);hydrate
CID 139067245
CID 173183203
CID 173183203
tris(2-aminoacetate);copper
CID 158701626
2-aminoacetate;rubidium(1+)
CID 59119233
tetrakis(2-aminoacetate);cobalt(2+);nickel(2+)
CID 175457538
trimagnesium;bis(2-aminoacetate);dicarbonate
CID 173203788
trisodium;2-aminoacetate;diacetate
CID 20975811
2-aminoacetate;iron(3+);diacetate
CID 174987571
sodium;2-aminoacetate;chromium(3+);trichloride
CID 24848593

Frequently Asked Questions

What is the IUPAC name of aluminum;heptakis(2-aminoacetate);zirconium(4+);tetrahydrate?
The IUPAC name of aluminum;heptakis(2-aminoacetate);zirconium(4+);tetrahydrate (CID 175035825) is aluminum;heptakis(2-aminoacetate);zirconium(4+);tetrahydrate.
What is the SMILES notation for aluminum;heptakis(2-aminoacetate);zirconium(4+);tetrahydrate?
The canonical SMILES for aluminum;heptakis(2-aminoacetate);zirconium(4+);tetrahydrate is NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].NCC(=O)[O-].O.O.O.O.[Al+3].[Zr+4].
What is the InChIKey of aluminum;heptakis(2-aminoacetate);zirconium(4+);tetrahydrate?
The InChIKey is RFBJJDBFKOYOLA-UHFFFAOYSA-G. The full InChI is InChI=1S/7C2H5NO2.Al.4H2O.Zr/c7*3-1-2(4)5;;;;;;/h7*1,3H2,(H,4,5);;4*1H2;/q;;;;;;;+3;;;;;+4/p-7.
What are the key properties of aluminum;heptakis(2-aminoacetate);zirconium(4+);tetrahydrate?
aluminum;heptakis(2-aminoacetate);zirconium(4+);tetrahydrate has a molecular weight of 708.68 g/mol, XLogP of -19.82, 7 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;heptakis(2-aminoacetate);zirconium(4+);tetrahydrate is sourced from PubChem (CID 175035825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).