bis(scandium);sulfuric acid;octahydrate

H22O20S3Sc2 — CID 86222721

IUPACbis(scandium);sulfuric acid;octahydrate
SMILESO.O.O.O.O.O.O.O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.[Sc].[Sc]
InChIInChI=1S/3H2O4S.8H2O.2Sc/c3*1-5(2,3)4;;;;;;;;;;/h3*(H2,1,2,3,4);8*1H2;;
InChIKeyPMUDWKXERQOYQW-UHFFFAOYSA-N
MW528.27 g/mol
LogP-8.56
Rot. Bonds

About bis(scandium);sulfuric acid;octahydrate

bis(scandium);sulfuric acid;octahydrate (PubChem CID 86222721) has the molecular formula H22O20S3Sc2 and a molecular weight of 528.27 g/mol. Its IUPAC name is bis(scandium);sulfuric acid;octahydrate.

Molecular Properties

Compound Namebis(scandium);sulfuric acid;octahydrate
PubChem CID86222721
Molecular FormulaH22O20S3Sc2
Molecular Weight528.27 g/mol
Exact Mass527.90
IUPAC Namebis(scandium);sulfuric acid;octahydrate
SMILESO.O.O.O.O.O.O.O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.[Sc].[Sc]
InChIInChI=1S/3H2O4S.8H2O.2Sc/c3*1-5(2,3)4;;;;;;;;;;/h3*(H2,1,2,3,4);8*1H2;;
InChIKeyPMUDWKXERQOYQW-UHFFFAOYSA-N
XLogP-8.56
TPSA475.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.27
LogP ≤ 5-8.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(scandium);sulfuric acid;octahydrate 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

sulfuric acid;tridecahydrate
CID 71366893
sulfuric acid;vanadium;hexahydrate
CID 174048593
λ2-plumbane;sulfuric acid;trihydrate
CID 175526604
alumane;sulfuric acid;hexahydrate
CID 174932074
methane;sulfuric acid;hydrate
CID 174518914
chromium;sulfuric acid;hydrate
CID 174869270
iron;sulfuric acid;hydrate
CID 516917
sulfuric acid;zinc;trihydrate
CID 173220597
platinum;sulfuric acid;tetrahydrate
CID 131883452
chromium;sulfuric acid;tetrahydrate
CID 173200783
cerium;sulfuric acid;nonahydrate
CID 173422966
europium;sulfuric acid;trihydrate
CID 175365379

Frequently Asked Questions

What is the IUPAC name of bis(scandium);sulfuric acid;octahydrate?
The IUPAC name of bis(scandium);sulfuric acid;octahydrate (CID 86222721) is bis(scandium);sulfuric acid;octahydrate.
What is the SMILES notation for bis(scandium);sulfuric acid;octahydrate?
The canonical SMILES for bis(scandium);sulfuric acid;octahydrate is O.O.O.O.O.O.O.O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.[Sc].[Sc].
What is the InChIKey of bis(scandium);sulfuric acid;octahydrate?
The InChIKey is PMUDWKXERQOYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/3H2O4S.8H2O.2Sc/c3*1-5(2,3)4;;;;;;;;;;/h3*(H2,1,2,3,4);8*1H2;;.
What are the key properties of bis(scandium);sulfuric acid;octahydrate?
bis(scandium);sulfuric acid;octahydrate has a molecular weight of 528.27 g/mol, XLogP of -8.56, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(scandium);sulfuric acid;octahydrate is sourced from PubChem (CID 86222721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).