trialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate

Al3Li13O120P30Ti17 — CID 172871694

IUPACtrialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Al+3].[Al+3].[Al+3].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4]
InChIInChI=1S/3Al.13Li.30H3O4P.17Ti/c;;;;;;;;;;;;;;;;30*1-5(2,3)4;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;;30*(H3,1,2,3,4);;;;;;;;;;;;;;;;;/q3*+3;13*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;17*+4/p-90
InChIKeyXREHHZVRGSXWSQ-UHFFFAOYSA-A
MW3834.02 g/mol
LogP-124.87
Rot. Bonds

About trialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate

trialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate (PubChem CID 172871694) has the molecular formula Al3Li13O120P30Ti17 and a molecular weight of 3834.02 g/mol. Its IUPAC name is trialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate.

Molecular Properties

Compound Nametrialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate
PubChem CID172871694
Molecular FormulaAl3Li13O120P30Ti17
Molecular Weight3834.02 g/mol
Exact Mass3835.87
IUPAC Nametrialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Al+3].[Al+3].[Al+3].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4]
InChIInChI=1S/3Al.13Li.30H3O4P.17Ti/c;;;;;;;;;;;;;;;;30*1-5(2,3)4;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;;30*(H3,1,2,3,4);;;;;;;;;;;;;;;;;/q3*+3;13*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;17*+4/p-90
InChIKeyXREHHZVRGSXWSQ-UHFFFAOYSA-A
XLogP-124.87
TPSA2587.50 Ų
H-Bond Donors
H-Bond Acceptors120
Rotatable Bonds
Heavy Atoms183
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003834.02
LogP ≤ 5-124.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 10120

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Related Compounds

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lithium;hafnium(4+);phosphate
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aluminum;iron(2+);phosphate
CID 18314842
trilithium;iron(3+);diphosphate
CID 102600810
lithium;germanium(4+);phosphate
CID 91868528
tris(titanium(4+));tungsten;decaphosphate
CID 173472598
CID 19041851
CID 19041851
tris(titanium(4+));tetraphosphate;dihydrate
CID 172694967
CID 170997253
CID 170997253
dilithium;bis(iron(2+));diphosphate
CID 157234237

Frequently Asked Questions

What is the IUPAC name of trialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate?
The IUPAC name of trialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate (CID 172871694) is trialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate.
What is the SMILES notation for trialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate?
The canonical SMILES for trialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Al+3].[Al+3].[Al+3].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].
What is the InChIKey of trialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate?
The InChIKey is XREHHZVRGSXWSQ-UHFFFAOYSA-A. The full InChI is InChI=1S/3Al.13Li.30H3O4P.17Ti/c;;;;;;;;;;;;;;;;30*1-5(2,3)4;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;;30*(H3,1,2,3,4);;;;;;;;;;;;;;;;;/q3*+3;13*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;17*+4/p-90.
What are the key properties of trialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate?
trialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate has a molecular weight of 3834.02 g/mol, XLogP of -124.87, 0 rotatable bonds, 0 hydrogen bond donors, and 120 hydrogen bond acceptors.
Where does this data come from?
All data for trialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate is sourced from PubChem (CID 172871694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).