aluminum;copper;borate

AlBCuO3+2 — CID 86742028

IUPACaluminum;copper;borate
SMILES[Al+3].[Cu+2].[O-]B([O-])[O-]
InChIInChI=1S/Al.BO3.Cu/c;2-1(3)4;/q+3;-3;+2
InChIKeySJPAMAGXLUFKOO-UHFFFAOYSA-N
MW149.34 g/mol
LogP-4.33
Rot. Bonds

About aluminum;copper;borate

aluminum;copper;borate (PubChem CID 86742028) has the molecular formula AlBCuO3+2 and a molecular weight of 149.34 g/mol. Its IUPAC name is aluminum;copper;borate.

Molecular Properties

Compound Namealuminum;copper;borate
PubChem CID86742028
Molecular FormulaAlBCuO3+2
Molecular Weight149.34 g/mol
Exact Mass148.90
IUPAC Namealuminum;copper;borate
SMILES[Al+3].[Cu+2].[O-]B([O-])[O-]
InChIInChI=1S/Al.BO3.Cu/c;2-1(3)4;/q+3;-3;+2
InChIKeySJPAMAGXLUFKOO-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 ≤ 500149.34
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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Related Compounds

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trialuminum;yttrium(3+);tetraborate
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CID 173359634
aluminum;cerium(3+);borate
CID 19825559
aluminum;samarium(3+);diborate
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hexamagnesium;tetraborate
CID 19981642
trisulfanium;borate
CID 22561123
tetraborate;pentahydrate
CID 18463322
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CID 159089298

Frequently Asked Questions

What is the IUPAC name of aluminum;copper;borate?
The IUPAC name of aluminum;copper;borate (CID 86742028) is aluminum;copper;borate.
What is the SMILES notation for aluminum;copper;borate?
The canonical SMILES for aluminum;copper;borate is [Al+3].[Cu+2].[O-]B([O-])[O-].
What is the InChIKey of aluminum;copper;borate?
The InChIKey is SJPAMAGXLUFKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.BO3.Cu/c;2-1(3)4;/q+3;-3;+2.
What are the key properties of aluminum;copper;borate?
aluminum;copper;borate has a molecular weight of 149.34 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;copper;borate is sourced from PubChem (CID 86742028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).