aluminum;samarium(3+);diborate

AlB2O6Sm — CID 161016046

IUPACaluminum;samarium(3+);diborate
SMILES[Al+3].[O-]B([O-])[O-].[O-]B([O-])[O-].[Sm+3]
InChIInChI=1S/Al.2BO3.Sm/c;2*2-1(3)4;/q+3;2*-3;+3
InChIKeyTXSVNIXWJFUJAS-UHFFFAOYSA-N
MW294.96 g/mol
LogP-8.28
Rot. Bonds

About aluminum;samarium(3+);diborate

aluminum;samarium(3+);diborate (PubChem CID 161016046) has the molecular formula AlB2O6Sm and a molecular weight of 294.96 g/mol. Its IUPAC name is aluminum;samarium(3+);diborate.

Molecular Properties

Compound Namealuminum;samarium(3+);diborate
PubChem CID161016046
Molecular FormulaAlB2O6Sm
Molecular Weight294.96 g/mol
Exact Mass296.89
IUPAC Namealuminum;samarium(3+);diborate
SMILES[Al+3].[O-]B([O-])[O-].[O-]B([O-])[O-].[Sm+3]
InChIInChI=1S/Al.2BO3.Sm/c;2*2-1(3)4;/q+3;2*-3;+3
InChIKeyTXSVNIXWJFUJAS-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 ≤ 500294.96
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

dialuminum diborate
CID 22359065
aluminum;gadolinium;borate
CID 174462656
tetraaluminum;triborate;trihydroxide
CID 173042860
aluminum;lutetium(3+);borate
CID 18964317
trialuminum;yttrium(3+);tetraborate
CID 117065339
aluminum;tris(cobalt(2+));triborate
CID 173359634
aluminum;copper;borate
CID 86742028
aluminum;cerium(3+);borate
CID 19825559
trisulfanium;borate
CID 22561123
tetraborate;pentahydrate
CID 18463322
dibismuth diborate
CID 159089298
tetrakis(ytterbium(3+));tetraborate
CID 158376786

Frequently Asked Questions

What is the IUPAC name of aluminum;samarium(3+);diborate?
The IUPAC name of aluminum;samarium(3+);diborate (CID 161016046) is aluminum;samarium(3+);diborate.
What is the SMILES notation for aluminum;samarium(3+);diborate?
The canonical SMILES for aluminum;samarium(3+);diborate is [Al+3].[O-]B([O-])[O-].[O-]B([O-])[O-].[Sm+3].
What is the InChIKey of aluminum;samarium(3+);diborate?
The InChIKey is TXSVNIXWJFUJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.2BO3.Sm/c;2*2-1(3)4;/q+3;2*-3;+3.
What are the key properties of aluminum;samarium(3+);diborate?
aluminum;samarium(3+);diborate has a molecular weight of 294.96 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 aluminum;samarium(3+);diborate is sourced from PubChem (CID 161016046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).