tetraaluminum;triborate;trihydroxide

H3Al4B3O12 — CID 173042860

IUPACtetraaluminum;triborate;trihydroxide
SMILES[Al+3].[Al+3].[Al+3].[Al+3].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[OH-].[OH-].[OH-]
InChIInChI=1S/4Al.3BO3.3H2O/c;;;;3*2-1(3)4;;;/h;;;;;;;3*1H2/q4*+3;3*-3;;;/p-3
InChIKeySWTDXHGZCPIEHB-UHFFFAOYSA-K
MW335.38 g/mol
LogP-13.90
Rot. Bonds

About tetraaluminum;triborate;trihydroxide

tetraaluminum;triborate;trihydroxide (PubChem CID 173042860) has the molecular formula H3Al4B3O12 and a molecular weight of 335.38 g/mol. Its IUPAC name is tetraaluminum;triborate;trihydroxide.

Molecular Properties

Compound Nametetraaluminum;triborate;trihydroxide
PubChem CID173042860
Molecular FormulaH3Al4B3O12
Molecular Weight335.38 g/mol
Exact Mass335.92
IUPAC Nametetraaluminum;triborate;trihydroxide
SMILES[Al+3].[Al+3].[Al+3].[Al+3].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[OH-].[OH-].[OH-]
InChIInChI=1S/4Al.3BO3.3H2O/c;;;;3*2-1(3)4;;;/h;;;;;;;3*1H2/q4*+3;3*-3;;;/p-3
InChIKeySWTDXHGZCPIEHB-UHFFFAOYSA-K
XLogP-13.90
TPSA297.54 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.38
LogP ≤ 5-13.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

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CID 22359065
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CID 174688096
trialuminum;yttrium(3+);tetraborate
CID 117065339
aluminum;tris(cobalt(2+));triborate
CID 173359634
aluminum;copper;borate
CID 86742028
aluminum;cerium(3+);borate
CID 19825559
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CID 161016046
barium(2+);titanium;borate;tetrahydroxide
CID 22597291
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CID 22561123
tetraborate;pentahydrate
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Frequently Asked Questions

What is the IUPAC name of tetraaluminum;triborate;trihydroxide?
The IUPAC name of tetraaluminum;triborate;trihydroxide (CID 173042860) is tetraaluminum;triborate;trihydroxide.
What is the SMILES notation for tetraaluminum;triborate;trihydroxide?
The canonical SMILES for tetraaluminum;triborate;trihydroxide is [Al+3].[Al+3].[Al+3].[Al+3].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[OH-].[OH-].[OH-].
What is the InChIKey of tetraaluminum;triborate;trihydroxide?
The InChIKey is SWTDXHGZCPIEHB-UHFFFAOYSA-K. The full InChI is InChI=1S/4Al.3BO3.3H2O/c;;;;3*2-1(3)4;;;/h;;;;;;;3*1H2/q4*+3;3*-3;;;/p-3.
What are the key properties of tetraaluminum;triborate;trihydroxide?
tetraaluminum;triborate;trihydroxide has a molecular weight of 335.38 g/mol, XLogP of -13.90, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetraaluminum;triborate;trihydroxide is sourced from PubChem (CID 173042860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).