digallium;bis(gadolinium(3+));nonakis(oxygen(2-));bis(scandium(3+))

Ga2Gd2O9Sc2 — CID 22644309

IUPACdigallium;bis(gadolinium(3+));nonakis(oxygen(2-));bis(scandium(3+))
SMILES[Ga+3].[Ga+3].[Gd+3].[Gd+3].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Sc+3].[Sc+3]
InChIInChI=1S/2Ga.2Gd.9O.2Sc/q4*+3;9*-2;2*+3
InChIKeyVYUWZVALJODRBI-UHFFFAOYSA-N
MW687.85 g/mol
LogP-1.84
Rot. Bonds

About digallium;bis(gadolinium(3+));nonakis(oxygen(2-));bis(scandium(3+))

digallium;bis(gadolinium(3+));nonakis(oxygen(2-));bis(scandium(3+)) (PubChem CID 22644309) has the molecular formula Ga2Gd2O9Sc2 and a molecular weight of 687.85 g/mol. Its IUPAC name is digallium;bis(gadolinium(3+));nonakis(oxygen(2-));bis(scandium(3+)).

Molecular Properties

Compound Namedigallium;bis(gadolinium(3+));nonakis(oxygen(2-));bis(scandium(3+))
PubChem CID22644309
Molecular FormulaGa2Gd2O9Sc2
Molecular Weight687.85 g/mol
Exact Mass687.57
IUPAC Namedigallium;bis(gadolinium(3+));nonakis(oxygen(2-));bis(scandium(3+))
SMILES[Ga+3].[Ga+3].[Gd+3].[Gd+3].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Sc+3].[Sc+3]
InChIInChI=1S/2Ga.2Gd.9O.2Sc/q4*+3;9*-2;2*+3
InChIKeyVYUWZVALJODRBI-UHFFFAOYSA-N
XLogP-1.84
TPSA256.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500687.85
LogP ≤ 5-1.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of digallium;bis(gadolinium(3+));nonakis(oxygen(2-));bis(scandium(3+))?
The IUPAC name of digallium;bis(gadolinium(3+));nonakis(oxygen(2-));bis(scandium(3+)) (CID 22644309) is digallium;bis(gadolinium(3+));nonakis(oxygen(2-));bis(scandium(3+)).
What is the SMILES notation for digallium;bis(gadolinium(3+));nonakis(oxygen(2-));bis(scandium(3+))?
The canonical SMILES for digallium;bis(gadolinium(3+));nonakis(oxygen(2-));bis(scandium(3+)) is [Ga+3].[Ga+3].[Gd+3].[Gd+3].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Sc+3].[Sc+3].
What is the InChIKey of digallium;bis(gadolinium(3+));nonakis(oxygen(2-));bis(scandium(3+))?
The InChIKey is VYUWZVALJODRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/2Ga.2Gd.9O.2Sc/q4*+3;9*-2;2*+3.
What are the key properties of digallium;bis(gadolinium(3+));nonakis(oxygen(2-));bis(scandium(3+))?
digallium;bis(gadolinium(3+));nonakis(oxygen(2-));bis(scandium(3+)) has a molecular weight of 687.85 g/mol, XLogP of -1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for digallium;bis(gadolinium(3+));nonakis(oxygen(2-));bis(scandium(3+)) is sourced from PubChem (CID 22644309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).