trialuminum;yttrium(3+);tetraborate

Al3B4O12Y — CID 117065339

IUPACtrialuminum;yttrium(3+);tetraborate
SMILES[Al+3].[Al+3].[Al+3].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[Y+3]
InChIInChI=1S/3Al.4BO3.Y/c;;;4*2-1(3)4;/q3*+3;4*-3;+3
InChIKeyXKVPKGQXTWIKDR-UHFFFAOYSA-N
MW405.09 g/mol
LogP-16.94
Rot. Bonds

About trialuminum;yttrium(3+);tetraborate

trialuminum;yttrium(3+);tetraborate (PubChem CID 117065339) has the molecular formula Al3B4O12Y and a molecular weight of 405.09 g/mol. Its IUPAC name is trialuminum;yttrium(3+);tetraborate.

Molecular Properties

Compound Nametrialuminum;yttrium(3+);tetraborate
PubChem CID117065339
Molecular FormulaAl3B4O12Y
Molecular Weight405.09 g/mol
Exact Mass405.83
IUPAC Nametrialuminum;yttrium(3+);tetraborate
SMILES[Al+3].[Al+3].[Al+3].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[Y+3]
InChIInChI=1S/3Al.4BO3.Y/c;;;4*2-1(3)4;/q3*+3;4*-3;+3
InChIKeyXKVPKGQXTWIKDR-UHFFFAOYSA-N
XLogP-16.94
TPSA276.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.09
LogP ≤ 5-16.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

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aluminum;tris(cobalt(2+));triborate
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strontium;europium(3+);yttrium(3+);borate
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Frequently Asked Questions

What is the IUPAC name of trialuminum;yttrium(3+);tetraborate?
The IUPAC name of trialuminum;yttrium(3+);tetraborate (CID 117065339) is trialuminum;yttrium(3+);tetraborate.
What is the SMILES notation for trialuminum;yttrium(3+);tetraborate?
The canonical SMILES for trialuminum;yttrium(3+);tetraborate is [Al+3].[Al+3].[Al+3].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[Y+3].
What is the InChIKey of trialuminum;yttrium(3+);tetraborate?
The InChIKey is XKVPKGQXTWIKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/3Al.4BO3.Y/c;;;4*2-1(3)4;/q3*+3;4*-3;+3.
What are the key properties of trialuminum;yttrium(3+);tetraborate?
trialuminum;yttrium(3+);tetraborate has a molecular weight of 405.09 g/mol, XLogP of -16.94, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for trialuminum;yttrium(3+);tetraborate is sourced from PubChem (CID 117065339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).