aluminum;gadolinium;borate

AlBGdO3 — CID 174462656

IUPACaluminum;gadolinium;borate
SMILES[Al+3].[Gd].[O-]B([O-])[O-]
InChIInChI=1S/Al.BO3.Gd/c;2-1(3)4;/q+3;-3;
InChIKeyQRHWFSPUGTWWAX-UHFFFAOYSA-N
MW243.04 g/mol
LogP-4.33
Rot. Bonds

About aluminum;gadolinium;borate

aluminum;gadolinium;borate (PubChem CID 174462656) has the molecular formula AlBGdO3 and a molecular weight of 243.04 g/mol. Its IUPAC name is aluminum;gadolinium;borate.

Molecular Properties

Compound Namealuminum;gadolinium;borate
PubChem CID174462656
Molecular FormulaAlBGdO3
Molecular Weight243.04 g/mol
Exact Mass243.90
IUPAC Namealuminum;gadolinium;borate
SMILES[Al+3].[Gd].[O-]B([O-])[O-]
InChIInChI=1S/Al.BO3.Gd/c;2-1(3)4;/q+3;-3;
InChIKeyQRHWFSPUGTWWAX-UHFFFAOYSA-N
XLogP-4.33
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.04
LogP ≤ 5-4.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aluminum;gadolinium;borate?
The IUPAC name of aluminum;gadolinium;borate (CID 174462656) is aluminum;gadolinium;borate.
What is the SMILES notation for aluminum;gadolinium;borate?
The canonical SMILES for aluminum;gadolinium;borate is [Al+3].[Gd].[O-]B([O-])[O-].
What is the InChIKey of aluminum;gadolinium;borate?
The InChIKey is QRHWFSPUGTWWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.BO3.Gd/c;2-1(3)4;/q+3;-3;.
What are the key properties of aluminum;gadolinium;borate?
aluminum;gadolinium;borate has a molecular weight of 243.04 g/mol, XLogP of -4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;gadolinium;borate is sourced from PubChem (CID 174462656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).