aluminum;lithium;phosphonato phosphate;titanium(4+)

AlLiO14P4Ti — CID 175348494

IUPACaluminum;lithium;phosphonato phosphate;titanium(4+)
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].[Al+3].[Li+].[Ti+4]
InChIInChI=1S/Al.Li.2H4O7P2.Ti/c;;2*1-8(2,3)7-9(4,5)6;/h;;2*(H2,1,2,3)(H2,4,5,6);/q+3;+1;;;+4/p-8
InChIKeySJXVKGIVVKGIEO-UHFFFAOYSA-F
MW429.67 g/mol
LogP-10.06
Rot. Bonds4

About aluminum;lithium;phosphonato phosphate;titanium(4+)

aluminum;lithium;phosphonato phosphate;titanium(4+) (PubChem CID 175348494) has the molecular formula AlLiO14P4Ti and a molecular weight of 429.67 g/mol. Its IUPAC name is aluminum;lithium;phosphonato phosphate;titanium(4+).

Molecular Properties

Compound Namealuminum;lithium;phosphonato phosphate;titanium(4+)
PubChem CID175348494
Molecular FormulaAlLiO14P4Ti
Molecular Weight429.67 g/mol
Exact Mass429.77
IUPAC Namealuminum;lithium;phosphonato phosphate;titanium(4+)
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].[Al+3].[Li+].[Ti+4]
InChIInChI=1S/Al.Li.2H4O7P2.Ti/c;;2*1-8(2,3)7-9(4,5)6;/h;;2*(H2,1,2,3)(H2,4,5,6);/q+3;+1;;;+4/p-8
InChIKeySJXVKGIVVKGIEO-UHFFFAOYSA-F
XLogP-10.06
TPSA271.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.67
LogP ≤ 5-10.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

phosphonato phosphate;bis(titanium(4+))
CID 158284224
lithium;chromium(3+);phosphonato phosphate
CID 160746898
phosphonato phosphate
CID 644102
phosphonato phosphate;decahydrate
CID 22385493
tetrakis(cobalt(3+));phosphonato phosphate
CID 159266783
tetrapotassium;tetrasodium;phosphonato phosphate
CID 19872331
pentasodium;phosphonato phosphate;hydroxide
CID 158792062
pentasodium;phosphonato phosphate;fluoride
CID 23202687
heptasodium;tetrakis(iron(3+));phosphonato phosphate
CID 56846460
mercury;phosphonato phosphate
CID 157352193
sodium;chromium(3+);phosphonato phosphate
CID 159071425
phosphonato phosphate;tetrakis(thallium(1+))
CID 22764813

Frequently Asked Questions

What is the IUPAC name of aluminum;lithium;phosphonato phosphate;titanium(4+)?
The IUPAC name of aluminum;lithium;phosphonato phosphate;titanium(4+) (CID 175348494) is aluminum;lithium;phosphonato phosphate;titanium(4+).
What is the SMILES notation for aluminum;lithium;phosphonato phosphate;titanium(4+)?
The canonical SMILES for aluminum;lithium;phosphonato phosphate;titanium(4+) is O=P([O-])([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])[O-].[Al+3].[Li+].[Ti+4].
What is the InChIKey of aluminum;lithium;phosphonato phosphate;titanium(4+)?
The InChIKey is SJXVKGIVVKGIEO-UHFFFAOYSA-F. The full InChI is InChI=1S/Al.Li.2H4O7P2.Ti/c;;2*1-8(2,3)7-9(4,5)6;/h;;2*(H2,1,2,3)(H2,4,5,6);/q+3;+1;;;+4/p-8.
What are the key properties of aluminum;lithium;phosphonato phosphate;titanium(4+)?
aluminum;lithium;phosphonato phosphate;titanium(4+) has a molecular weight of 429.67 g/mol, XLogP of -10.06, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;lithium;phosphonato phosphate;titanium(4+) is sourced from PubChem (CID 175348494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).