aluminum;bis(indium(3+));triphosphate

AlIn2O12P3 — CID 174896322

IUPACaluminum;bis(indium(3+));triphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Al+3].[In+3].[In+3]
InChIInChI=1S/Al.2In.3H3O4P/c;;;3*1-5(2,3)4/h;;;3*(H3,1,2,3,4)/q3*+3;;;/p-9
InChIKeySMMGFUPFYXYLCN-UHFFFAOYSA-E
MW541.53 g/mol
LogP-9.62
Rot. Bonds

About aluminum;bis(indium(3+));triphosphate

aluminum;bis(indium(3+));triphosphate (PubChem CID 174896322) has the molecular formula AlIn2O12P3 and a molecular weight of 541.53 g/mol. Its IUPAC name is aluminum;bis(indium(3+));triphosphate.

Molecular Properties

Compound Namealuminum;bis(indium(3+));triphosphate
PubChem CID174896322
Molecular FormulaAlIn2O12P3
Molecular Weight541.53 g/mol
Exact Mass541.65
IUPAC Namealuminum;bis(indium(3+));triphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Al+3].[In+3].[In+3]
InChIInChI=1S/Al.2In.3H3O4P/c;;;3*1-5(2,3)4/h;;;3*(H3,1,2,3,4)/q3*+3;;;/p-9
InChIKeySMMGFUPFYXYLCN-UHFFFAOYSA-E
XLogP-9.62
TPSA258.75 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.53
LogP ≤ 5-9.62
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

trialuminum;triphosphate
CID 23371115
gallium;indium(3+);phosphate
CID 22338695
aluminum;iron(2+);phosphate
CID 18314842
zinc;indium(3+);phosphate
CID 159690150
CID 19041851
CID 19041851
tetraaluminum;trifluoride;triphosphate
CID 173444901
pentakis(indium(3+));heptakis(oxygen(2-));pentakis(tin(4+));heptaphosphate
CID 173092768
dialuminum;magnesium;bis(oxygen(2-));phosphate
CID 172798844
trialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate
CID 172871694
CID 22993124
CID 22993124
aluminum;sodium;hydroxide;phosphate
CID 22287658
dialuminum;lithium;titanium(4+);phosphate
CID 157281489

Frequently Asked Questions

What is the IUPAC name of aluminum;bis(indium(3+));triphosphate?
The IUPAC name of aluminum;bis(indium(3+));triphosphate (CID 174896322) is aluminum;bis(indium(3+));triphosphate.
What is the SMILES notation for aluminum;bis(indium(3+));triphosphate?
The canonical SMILES for aluminum;bis(indium(3+));triphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Al+3].[In+3].[In+3].
What is the InChIKey of aluminum;bis(indium(3+));triphosphate?
The InChIKey is SMMGFUPFYXYLCN-UHFFFAOYSA-E. The full InChI is InChI=1S/Al.2In.3H3O4P/c;;;3*1-5(2,3)4/h;;;3*(H3,1,2,3,4)/q3*+3;;;/p-9.
What are the key properties of aluminum;bis(indium(3+));triphosphate?
aluminum;bis(indium(3+));triphosphate has a molecular weight of 541.53 g/mol, XLogP of -9.62, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;bis(indium(3+));triphosphate is sourced from PubChem (CID 174896322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).