trialuminum;digallium;dodecakis(oxygen(2-));tris(yttrium(3+))

Al3Ga2O12Y3 — CID 6453246

IUPACtrialuminum;digallium;dodecakis(oxygen(2-));tris(yttrium(3+))
SMILES[Al+3].[Al+3].[Al+3].[Ga+3].[Ga+3].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Y+3].[Y+3].[Y+3]
InChIInChI=1S/3Al.2Ga.12O.3Y/q5*+3;12*-2;3*+3
InChIKeyAJJMZPMHKBKAOU-UHFFFAOYSA-N
MW679.10 g/mol
LogP-3.34
Rot. Bonds

About trialuminum;digallium;dodecakis(oxygen(2-));tris(yttrium(3+))

trialuminum;digallium;dodecakis(oxygen(2-));tris(yttrium(3+)) (PubChem CID 6453246) has the molecular formula Al3Ga2O12Y3 and a molecular weight of 679.10 g/mol. Its IUPAC name is trialuminum;digallium;dodecakis(oxygen(2-));tris(yttrium(3+)).

Molecular Properties

Compound Nametrialuminum;digallium;dodecakis(oxygen(2-));tris(yttrium(3+))
PubChem CID6453246
Molecular FormulaAl3Ga2O12Y3
Molecular Weight679.10 g/mol
Exact Mass677.45
IUPAC Nametrialuminum;digallium;dodecakis(oxygen(2-));tris(yttrium(3+))
SMILES[Al+3].[Al+3].[Al+3].[Ga+3].[Ga+3].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Y+3].[Y+3].[Y+3]
InChIInChI=1S/3Al.2Ga.12O.3Y/q5*+3;12*-2;3*+3
InChIKeyAJJMZPMHKBKAOU-UHFFFAOYSA-N
XLogP-3.34
TPSA342.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500679.10
LogP ≤ 5-3.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trialuminum;digallium;dodecakis(oxygen(2-));tris(yttrium(3+))?
The IUPAC name of trialuminum;digallium;dodecakis(oxygen(2-));tris(yttrium(3+)) (CID 6453246) is trialuminum;digallium;dodecakis(oxygen(2-));tris(yttrium(3+)).
What is the SMILES notation for trialuminum;digallium;dodecakis(oxygen(2-));tris(yttrium(3+))?
The canonical SMILES for trialuminum;digallium;dodecakis(oxygen(2-));tris(yttrium(3+)) is [Al+3].[Al+3].[Al+3].[Ga+3].[Ga+3].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Y+3].[Y+3].[Y+3].
What is the InChIKey of trialuminum;digallium;dodecakis(oxygen(2-));tris(yttrium(3+))?
The InChIKey is AJJMZPMHKBKAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/3Al.2Ga.12O.3Y/q5*+3;12*-2;3*+3.
What are the key properties of trialuminum;digallium;dodecakis(oxygen(2-));tris(yttrium(3+))?
trialuminum;digallium;dodecakis(oxygen(2-));tris(yttrium(3+)) has a molecular weight of 679.10 g/mol, XLogP of -3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trialuminum;digallium;dodecakis(oxygen(2-));tris(yttrium(3+)) is sourced from PubChem (CID 6453246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).