bis(cerium(3+));trisulfate;pentahydrate

H10Ce2O17S3 — CID 57370410

IUPACbis(cerium(3+));trisulfate;pentahydrate
SMILESO.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Ce+3].[Ce+3]
InChIInChI=1S/2Ce.3H2O4S.5H2O/c;;3*1-5(2,3)4;;;;;/h;;3*(H2,1,2,3,4);5*1H2/q2*+3;;;;;;;;/p-6
InChIKeyMSSVKZVJPYBNIC-UHFFFAOYSA-H
MW658.50 g/mol
LogP-8.14
Rot. Bonds

About bis(cerium(3+));trisulfate;pentahydrate

bis(cerium(3+));trisulfate;pentahydrate (PubChem CID 57370410) has the molecular formula H10Ce2O17S3 and a molecular weight of 658.50 g/mol. Its IUPAC name is bis(cerium(3+));trisulfate;pentahydrate.

Molecular Properties

Compound Namebis(cerium(3+));trisulfate;pentahydrate
PubChem CID57370410
Molecular FormulaH10Ce2O17S3
Molecular Weight658.50 g/mol
Exact Mass657.72
IUPAC Namebis(cerium(3+));trisulfate;pentahydrate
SMILESO.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Ce+3].[Ce+3]
InChIInChI=1S/2Ce.3H2O4S.5H2O/c;;3*1-5(2,3)4;;;;;/h;;3*(H2,1,2,3,4);5*1H2/q2*+3;;;;;;;;/p-6
InChIKeyMSSVKZVJPYBNIC-UHFFFAOYSA-H
XLogP-8.14
TPSA398.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.50
LogP ≤ 5-8.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze bis(cerium(3+));trisulfate;pentahydrate 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;cerium(3+);disulfate;hydrate
CID 91824227
azanium;cerium(3+);sulfate;hydrate
CID 19882911
sulfate trihydrate
CID 22613957
bis(iron(3+));trisulfate;tetrahydrate
CID 138961463
bis(iron(3+));trisulfate;henicosahydrate
CID 173056972
dialuminum;trisulfate;dotriacontahydrate
CID 172707347
bis(ytterbium(3+));trisulfate;octahydrate
CID 25022290
tris(ytterbium(3+));disulfate;octahydrate
CID 131676103
sodium;sulfate;heptahydrate
CID 18522796
copper;disulfate;hydrate
CID 44601134
bis(neodymium(3+));trisulfate;hydrate
CID 53249209
dialuminum;trisulfate;hexatriacontahydrate
CID 173430533

Frequently Asked Questions

What is the IUPAC name of bis(cerium(3+));trisulfate;pentahydrate?
The IUPAC name of bis(cerium(3+));trisulfate;pentahydrate (CID 57370410) is bis(cerium(3+));trisulfate;pentahydrate.
What is the SMILES notation for bis(cerium(3+));trisulfate;pentahydrate?
The canonical SMILES for bis(cerium(3+));trisulfate;pentahydrate is O.O.O.O.O.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Ce+3].[Ce+3].
What is the InChIKey of bis(cerium(3+));trisulfate;pentahydrate?
The InChIKey is MSSVKZVJPYBNIC-UHFFFAOYSA-H. The full InChI is InChI=1S/2Ce.3H2O4S.5H2O/c;;3*1-5(2,3)4;;;;;/h;;3*(H2,1,2,3,4);5*1H2/q2*+3;;;;;;;;/p-6.
What are the key properties of bis(cerium(3+));trisulfate;pentahydrate?
bis(cerium(3+));trisulfate;pentahydrate has a molecular weight of 658.50 g/mol, XLogP of -8.14, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cerium(3+));trisulfate;pentahydrate is sourced from PubChem (CID 57370410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).