azane;tetrakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(zirconium(4+))

C24H29N3O28Zr3 — CID 173362553

IUPACazane;tetrakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(zirconium(4+))
SMILESN.N.N.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Zr+4].[Zr+4].[Zr+4]
InChIInChI=1S/4C6H8O7.3H3N.3Zr/c4*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h4*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3;;;/q;;;;;;;3*+4/p-12
InChIKeyUAYXIFUCVHIXAB-UHFFFAOYSA-B
MW1081.16 g/mol
LogP-20.53
Rot. Bonds20

About azane;tetrakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(zirconium(4+))

azane;tetrakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(zirconium(4+)) (PubChem CID 173362553) has the molecular formula C24H29N3O28Zr3 and a molecular weight of 1081.16 g/mol. Its IUPAC name is azane;tetrakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(zirconium(4+)).

Molecular Properties

Compound Nameazane;tetrakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(zirconium(4+))
PubChem CID173362553
Molecular FormulaC24H29N3O28Zr3
Molecular Weight1081.16 g/mol
Exact Mass1076.81
IUPAC Nameazane;tetrakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(zirconium(4+))
SMILESN.N.N.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Zr+4].[Zr+4].[Zr+4]
InChIInChI=1S/4C6H8O7.3H3N.3Zr/c4*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h4*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3;;;/q;;;;;;;3*+4/p-12
InChIKeyUAYXIFUCVHIXAB-UHFFFAOYSA-B
XLogP-20.53
TPSA667.48 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds20
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001081.16
LogP ≤ 5-20.53
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze azane;tetrakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(zirconium(4+)) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(barium(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)
CID 90472924
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
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
2-hydroxypropane-1,2,3-tricarboxylate;nickel(3+);dihydrate
CID 160518842
bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate
CID 19784307

Frequently Asked Questions

What is the IUPAC name of azane;tetrakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(zirconium(4+))?
The IUPAC name of azane;tetrakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(zirconium(4+)) (CID 173362553) is azane;tetrakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(zirconium(4+)).
What is the SMILES notation for azane;tetrakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(zirconium(4+))?
The canonical SMILES for azane;tetrakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(zirconium(4+)) is N.N.N.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Zr+4].[Zr+4].[Zr+4].
What is the InChIKey of azane;tetrakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(zirconium(4+))?
The InChIKey is UAYXIFUCVHIXAB-UHFFFAOYSA-B. The full InChI is InChI=1S/4C6H8O7.3H3N.3Zr/c4*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h4*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3;;;/q;;;;;;;3*+4/p-12.
What are the key properties of azane;tetrakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(zirconium(4+))?
azane;tetrakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(zirconium(4+)) has a molecular weight of 1081.16 g/mol, XLogP of -20.53, 20 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for azane;tetrakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(zirconium(4+)) is sourced from PubChem (CID 173362553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).