azanium;cerium(3+);disulfate;hydrate

H6CeNO9S2 — CID 91824227

IUPACazanium;cerium(3+);disulfate;hydrate
SMILESO.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Ce+3].[NH4+]
InChIInChI=1S/Ce.H3N.2H2O4S.H2O/c;;2*1-5(2,3)4;/h;1H3;2*(H2,1,2,3,4);1H2/q+3;;;;/p-3
InChIKeyXFRXMMOAPQQZPY-UHFFFAOYSA-K
MW368.30 g/mol
LogP-3.12
Rot. Bonds

About azanium;cerium(3+);disulfate;hydrate

azanium;cerium(3+);disulfate;hydrate (PubChem CID 91824227) has the molecular formula H6CeNO9S2 and a molecular weight of 368.30 g/mol. Its IUPAC name is azanium;cerium(3+);disulfate;hydrate.

Molecular Properties

Compound Nameazanium;cerium(3+);disulfate;hydrate
PubChem CID91824227
Molecular FormulaH6CeNO9S2
Molecular Weight368.30 g/mol
Exact Mass367.85
IUPAC Nameazanium;cerium(3+);disulfate;hydrate
SMILESO.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Ce+3].[NH4+]
InChIInChI=1S/Ce.H3N.2H2O4S.H2O/c;;2*1-5(2,3)4;/h;1H3;2*(H2,1,2,3,4);1H2/q+3;;;;/p-3
InChIKeyXFRXMMOAPQQZPY-UHFFFAOYSA-K
XLogP-3.12
TPSA228.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 5-3.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

azanium;cerium(3+);sulfate;hydrate
CID 19882911
bis(cerium(3+));trisulfate;pentahydrate
CID 57370410
diazanium;bis(chromium(3+));tetrasulfate;tetracosahydrate
CID 135395391
octaazanium;tetrasulfate
CID 86742620
azanium sulfate
CID 21225610
sulfate trihydrate
CID 22613957
azanium;lithium;sulfate
CID 139045804
diazanium;hydrazine;sulfate;hydrate
CID 159722336
disodium;disulfate;hydrate
CID 20976610
dialuminum;trisulfate;tetrahydrate
CID 169423459
chromium(3+);sulfate;hexahydrate
CID 21126657
copper;disulfate;hydrate
CID 44601134

Frequently Asked Questions

What is the IUPAC name of azanium;cerium(3+);disulfate;hydrate?
The IUPAC name of azanium;cerium(3+);disulfate;hydrate (CID 91824227) is azanium;cerium(3+);disulfate;hydrate.
What is the SMILES notation for azanium;cerium(3+);disulfate;hydrate?
The canonical SMILES for azanium;cerium(3+);disulfate;hydrate is O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Ce+3].[NH4+].
What is the InChIKey of azanium;cerium(3+);disulfate;hydrate?
The InChIKey is XFRXMMOAPQQZPY-UHFFFAOYSA-K. The full InChI is InChI=1S/Ce.H3N.2H2O4S.H2O/c;;2*1-5(2,3)4;/h;1H3;2*(H2,1,2,3,4);1H2/q+3;;;;/p-3.
What are the key properties of azanium;cerium(3+);disulfate;hydrate?
azanium;cerium(3+);disulfate;hydrate has a molecular weight of 368.30 g/mol, XLogP of -3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;cerium(3+);disulfate;hydrate is sourced from PubChem (CID 91824227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).