gadolinium(3+);zinc;borate

BGdO3Zn — CID 173199381

IUPACgadolinium(3+);zinc;borate
SMILES[Gd+3].[O-]B([O-])[O-].[Zn]
InChIInChI=1S/BO3.Gd.Zn/c2-1(3)4;;/q-3;+3;
InChIKeyUWTHHFBAHVXHRN-UHFFFAOYSA-N
MW281.45 g/mol
LogP-3.95
Rot. Bonds

About gadolinium(3+);zinc;borate

gadolinium(3+);zinc;borate (PubChem CID 173199381) has the molecular formula BGdO3Zn and a molecular weight of 281.45 g/mol. Its IUPAC name is gadolinium(3+);zinc;borate.

Molecular Properties

Compound Namegadolinium(3+);zinc;borate
PubChem CID173199381
Molecular FormulaBGdO3Zn
Molecular Weight281.45 g/mol
Exact Mass280.85
IUPAC Namegadolinium(3+);zinc;borate
SMILES[Gd+3].[O-]B([O-])[O-].[Zn]
InChIInChI=1S/BO3.Gd.Zn/c2-1(3)4;;/q-3;+3;
InChIKeyUWTHHFBAHVXHRN-UHFFFAOYSA-N
XLogP-3.95
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 5-3.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 141011813
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Frequently Asked Questions

What is the IUPAC name of gadolinium(3+);zinc;borate?
The IUPAC name of gadolinium(3+);zinc;borate (CID 173199381) is gadolinium(3+);zinc;borate.
What is the SMILES notation for gadolinium(3+);zinc;borate?
The canonical SMILES for gadolinium(3+);zinc;borate is [Gd+3].[O-]B([O-])[O-].[Zn].
What is the InChIKey of gadolinium(3+);zinc;borate?
The InChIKey is UWTHHFBAHVXHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/BO3.Gd.Zn/c2-1(3)4;;/q-3;+3;.
What are the key properties of gadolinium(3+);zinc;borate?
gadolinium(3+);zinc;borate has a molecular weight of 281.45 g/mol, XLogP of -3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for gadolinium(3+);zinc;borate is sourced from PubChem (CID 173199381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).