gallium;yttrium(3+);diborate

B2GaO6Y — CID 173246094

IUPACgallium;yttrium(3+);diborate
SMILES[Ga+3].[O-]B([O-])[O-].[O-]B([O-])[O-].[Y+3]
InChIInChI=1S/2BO3.Ga.Y/c2*2-1(3)4;;/q2*-3;2*+3
InChIKeyBLJKWOVQKFPYSH-UHFFFAOYSA-N
MW276.25 g/mol
LogP-8.28
Rot. Bonds

About gallium;yttrium(3+);diborate

gallium;yttrium(3+);diborate (PubChem CID 173246094) has the molecular formula B2GaO6Y and a molecular weight of 276.25 g/mol. Its IUPAC name is gallium;yttrium(3+);diborate.

Molecular Properties

Compound Namegallium;yttrium(3+);diborate
PubChem CID173246094
Molecular FormulaB2GaO6Y
Molecular Weight276.25 g/mol
Exact Mass275.82
IUPAC Namegallium;yttrium(3+);diborate
SMILES[Ga+3].[O-]B([O-])[O-].[O-]B([O-])[O-].[Y+3]
InChIInChI=1S/2BO3.Ga.Y/c2*2-1(3)4;;/q2*-3;2*+3
InChIKeyBLJKWOVQKFPYSH-UHFFFAOYSA-N
XLogP-8.28
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 5-8.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

trialuminum;yttrium(3+);tetraborate
CID 117065339
gallium;sodium;barium(2+);diborate
CID 174813964
strontium;europium(3+);yttrium(3+);borate
CID 175721635
dilithium;sodium;yttrium(3+);diborate
CID 175358271
trisulfanium;borate
CID 22561123
tetraborate;pentahydrate
CID 18463322
dibismuth diborate
CID 159089298
dialuminum diborate
CID 22359065
tetrakis(ytterbium(3+));tetraborate
CID 158376786
hexamagnesium;tetraborate
CID 19981642
aluminum;samarium(3+);diborate
CID 161016046
gadolinium(3+);zinc;borate
CID 173199381

Frequently Asked Questions

What is the IUPAC name of gallium;yttrium(3+);diborate?
The IUPAC name of gallium;yttrium(3+);diborate (CID 173246094) is gallium;yttrium(3+);diborate.
What is the SMILES notation for gallium;yttrium(3+);diborate?
The canonical SMILES for gallium;yttrium(3+);diborate is [Ga+3].[O-]B([O-])[O-].[O-]B([O-])[O-].[Y+3].
What is the InChIKey of gallium;yttrium(3+);diborate?
The InChIKey is BLJKWOVQKFPYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/2BO3.Ga.Y/c2*2-1(3)4;;/q2*-3;2*+3.
What are the key properties of gallium;yttrium(3+);diborate?
gallium;yttrium(3+);diborate has a molecular weight of 276.25 g/mol, XLogP of -8.28, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for gallium;yttrium(3+);diborate is sourced from PubChem (CID 173246094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).