azanium;cerium(4+);pentaacetate

C10H19CeNO10 — CID 172759983

IUPACazanium;cerium(4+);pentaacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Ce+4].[NH4+]
InChIInChI=1S/5C2H4O2.Ce.H3N/c5*1-2(3)4;;/h5*1H3,(H,3,4);;1H3/q;;;;;+4;/p-4
InChIKeyLNXNQHOMAXDPDX-UHFFFAOYSA-J
MW453.38 g/mol
LogP-5.84
Rot. Bonds

About azanium;cerium(4+);pentaacetate

azanium;cerium(4+);pentaacetate (PubChem CID 172759983) has the molecular formula C10H19CeNO10 and a molecular weight of 453.38 g/mol. Its IUPAC name is azanium;cerium(4+);pentaacetate.

Molecular Properties

Compound Nameazanium;cerium(4+);pentaacetate
PubChem CID172759983
Molecular FormulaC10H19CeNO10
Molecular Weight453.38 g/mol
Exact Mass453.01
IUPAC Nameazanium;cerium(4+);pentaacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Ce+4].[NH4+]
InChIInChI=1S/5C2H4O2.Ce.H3N/c5*1-2(3)4;;/h5*1H3,(H,3,4);;1H3/q;;;;;+4;/p-4
InChIKeyLNXNQHOMAXDPDX-UHFFFAOYSA-J
XLogP-5.84
TPSA237.15 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.38
LogP ≤ 5-5.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze azanium;cerium(4+);pentaacetate 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

azanium;titanium;acetate
CID 173299620
azanium;nickel;acetate;hydroxide
CID 174923833
uranium hexaacetate
CID 20541057
zirconium acetate
CID 18596
CID 170997571
CID 170997571
manganese(3+) diacetate
CID 159209977
terbium(3+) acetate
CID 22482914
(indium(3+)) diacetate
CID 173450278
tricalcium diacetate
CID 19804487
bis(cobalt(2+));tetraacetate
CID 157121376
nonasodium;nonaacetate
CID 173443222
tris(barium(2+)) diacetate
CID 19804496

Frequently Asked Questions

What is the IUPAC name of azanium;cerium(4+);pentaacetate?
The IUPAC name of azanium;cerium(4+);pentaacetate (CID 172759983) is azanium;cerium(4+);pentaacetate.
What is the SMILES notation for azanium;cerium(4+);pentaacetate?
The canonical SMILES for azanium;cerium(4+);pentaacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Ce+4].[NH4+].
What is the InChIKey of azanium;cerium(4+);pentaacetate?
The InChIKey is LNXNQHOMAXDPDX-UHFFFAOYSA-J. The full InChI is InChI=1S/5C2H4O2.Ce.H3N/c5*1-2(3)4;;/h5*1H3,(H,3,4);;1H3/q;;;;;+4;/p-4.
What are the key properties of azanium;cerium(4+);pentaacetate?
azanium;cerium(4+);pentaacetate has a molecular weight of 453.38 g/mol, XLogP of -5.84, 0 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;cerium(4+);pentaacetate is sourced from PubChem (CID 172759983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).