tetraaluminum;trifluoride;triphosphate

Al4F3O12P3 — CID 173444901

IUPACtetraaluminum;trifluoride;triphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Al+3].[Al+3].[Al+3].[Al+3].[F-].[F-].[F-]
InChIInChI=1S/4Al.3FH.3H3O4P/c;;;;;;;3*1-5(2,3)4/h;;;;3*1H;3*(H3,1,2,3,4)/q4*+3;;;;;;/p-12
InChIKeyPJDMEYYNJLGQSJ-UHFFFAOYSA-B
MW449.83 g/mol
LogP-18.99
Rot. Bonds

About tetraaluminum;trifluoride;triphosphate

tetraaluminum;trifluoride;triphosphate (PubChem CID 173444901) has the molecular formula Al4F3O12P3 and a molecular weight of 449.83 g/mol. Its IUPAC name is tetraaluminum;trifluoride;triphosphate.

Molecular Properties

Compound Nametetraaluminum;trifluoride;triphosphate
PubChem CID173444901
Molecular FormulaAl4F3O12P3
Molecular Weight449.83 g/mol
Exact Mass449.78
IUPAC Nametetraaluminum;trifluoride;triphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Al+3].[Al+3].[Al+3].[Al+3].[F-].[F-].[F-]
InChIInChI=1S/4Al.3FH.3H3O4P/c;;;;;;;3*1-5(2,3)4/h;;;;3*1H;3*(H3,1,2,3,4)/q4*+3;;;;;;/p-12
InChIKeyPJDMEYYNJLGQSJ-UHFFFAOYSA-B
XLogP-18.99
TPSA258.75 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.83
LogP ≤ 5-18.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

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CID 23371115
aluminum;bis(indium(3+));triphosphate
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aluminum;iron(2+);phosphate
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CID 19041851
CID 19041851
tricalcium;fluoride;phosphate
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potassium;chromium(3+);fluoride;phosphate
CID 162316687
dialuminum;magnesium;bis(oxygen(2-));phosphate
CID 172798844
trialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate
CID 172871694
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CID 22993124
bismuth;lanthanum(3+);fluoride;phosphate
CID 162028945
aluminum;sodium;hydroxide;phosphate
CID 22287658
dialuminum;lithium;titanium(4+);phosphate
CID 157281489

Frequently Asked Questions

What is the IUPAC name of tetraaluminum;trifluoride;triphosphate?
The IUPAC name of tetraaluminum;trifluoride;triphosphate (CID 173444901) is tetraaluminum;trifluoride;triphosphate.
What is the SMILES notation for tetraaluminum;trifluoride;triphosphate?
The canonical SMILES for tetraaluminum;trifluoride;triphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Al+3].[Al+3].[Al+3].[Al+3].[F-].[F-].[F-].
What is the InChIKey of tetraaluminum;trifluoride;triphosphate?
The InChIKey is PJDMEYYNJLGQSJ-UHFFFAOYSA-B. The full InChI is InChI=1S/4Al.3FH.3H3O4P/c;;;;;;;3*1-5(2,3)4/h;;;;3*1H;3*(H3,1,2,3,4)/q4*+3;;;;;;/p-12.
What are the key properties of tetraaluminum;trifluoride;triphosphate?
tetraaluminum;trifluoride;triphosphate has a molecular weight of 449.83 g/mol, XLogP of -18.99, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetraaluminum;trifluoride;triphosphate is sourced from PubChem (CID 173444901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).