scandium(3+);triperchlorate;hexahydrate

H12Cl3O18Sc — CID 121233719

IUPACscandium(3+);triperchlorate;hexahydrate
SMILESO.O.O.O.O.O.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Sc+3]
InChIInChI=1S/3ClHO4.6H2O.Sc/c3*2-1(3,4)5;;;;;;;/h3*(H,2,3,4,5);6*1H2;/q;;;;;;;;;+3/p-3
InChIKeyUCOPTIGJGCCZDO-UHFFFAOYSA-K
MW451.39 g/mol
LogP-19.22
Rot. Bonds

About scandium(3+);triperchlorate;hexahydrate

scandium(3+);triperchlorate;hexahydrate (PubChem CID 121233719) has the molecular formula H12Cl3O18Sc and a molecular weight of 451.39 g/mol. Its IUPAC name is scandium(3+);triperchlorate;hexahydrate.

Molecular Properties

Compound Namescandium(3+);triperchlorate;hexahydrate
PubChem CID121233719
Molecular FormulaH12Cl3O18Sc
Molecular Weight451.39 g/mol
Exact Mass449.86
IUPAC Namescandium(3+);triperchlorate;hexahydrate
SMILESO.O.O.O.O.O.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Sc+3]
InChIInChI=1S/3ClHO4.6H2O.Sc/c3*2-1(3,4)5;;;;;;;/h3*(H,2,3,4,5);6*1H2;/q;;;;;;;;;+3/p-3
InChIKeyUCOPTIGJGCCZDO-UHFFFAOYSA-K
XLogP-19.22
TPSA465.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.39
LogP ≤ 5-19.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of scandium(3+);triperchlorate;hexahydrate?
The IUPAC name of scandium(3+);triperchlorate;hexahydrate (CID 121233719) is scandium(3+);triperchlorate;hexahydrate.
What is the SMILES notation for scandium(3+);triperchlorate;hexahydrate?
The canonical SMILES for scandium(3+);triperchlorate;hexahydrate is O.O.O.O.O.O.[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].[Sc+3].
What is the InChIKey of scandium(3+);triperchlorate;hexahydrate?
The InChIKey is UCOPTIGJGCCZDO-UHFFFAOYSA-K. The full InChI is InChI=1S/3ClHO4.6H2O.Sc/c3*2-1(3,4)5;;;;;;;/h3*(H,2,3,4,5);6*1H2;/q;;;;;;;;;+3/p-3.
What are the key properties of scandium(3+);triperchlorate;hexahydrate?
scandium(3+);triperchlorate;hexahydrate has a molecular weight of 451.39 g/mol, XLogP of -19.22, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for scandium(3+);triperchlorate;hexahydrate is sourced from PubChem (CID 121233719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).