potassium;dihydroxy(oxo)titanium;hexakis(oxido(dioxo)niobium);tantalum(5+)

H2KNb6O21TaTi — CID 19016950

IUPACpotassium;dihydroxy(oxo)titanium;hexakis(oxido(dioxo)niobium);tantalum(5+)
SMILESO=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Ti](O)O.[K+].[Ta+5]
InChIInChI=1S/K.6Nb.2H2O.19O.Ta.Ti/h;;;;;;;2*1H2;;;;;;;;;;;;;;;;;;;;;/q+1;;;;;;;;;;;;;;;;;;;;;;6*-1;+5;+2/p-2
InChIKeyQKNUGMYFUPEZRS-UHFFFAOYSA-L
MW1163.34 g/mol
LogP-12.81
Rot. Bonds

About potassium;dihydroxy(oxo)titanium;hexakis(oxido(dioxo)niobium);tantalum(5+)

potassium;dihydroxy(oxo)titanium;hexakis(oxido(dioxo)niobium);tantalum(5+) (PubChem CID 19016950) has the molecular formula H2KNb6O21TaTi and a molecular weight of 1163.34 g/mol. Its IUPAC name is potassium;dihydroxy(oxo)titanium;hexakis(oxido(dioxo)niobium);tantalum(5+).

Molecular Properties

Compound Namepotassium;dihydroxy(oxo)titanium;hexakis(oxido(dioxo)niobium);tantalum(5+)
PubChem CID19016950
Molecular FormulaH2KNb6O21TaTi
Molecular Weight1163.34 g/mol
Exact Mass1163.21
IUPAC Namepotassium;dihydroxy(oxo)titanium;hexakis(oxido(dioxo)niobium);tantalum(5+)
SMILESO=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Ti](O)O.[K+].[Ta+5]
InChIInChI=1S/K.6Nb.2H2O.19O.Ta.Ti/h;;;;;;;2*1H2;;;;;;;;;;;;;;;;;;;;;/q+1;;;;;;;;;;;;;;;;;;;;;;6*-1;+5;+2/p-2
InChIKeyQKNUGMYFUPEZRS-UHFFFAOYSA-L
XLogP-12.81
TPSA400.73 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001163.34
LogP ≤ 5-12.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of potassium;dihydroxy(oxo)titanium;hexakis(oxido(dioxo)niobium);tantalum(5+)?
The IUPAC name of potassium;dihydroxy(oxo)titanium;hexakis(oxido(dioxo)niobium);tantalum(5+) (CID 19016950) is potassium;dihydroxy(oxo)titanium;hexakis(oxido(dioxo)niobium);tantalum(5+).
What is the SMILES notation for potassium;dihydroxy(oxo)titanium;hexakis(oxido(dioxo)niobium);tantalum(5+)?
The canonical SMILES for potassium;dihydroxy(oxo)titanium;hexakis(oxido(dioxo)niobium);tantalum(5+) is O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Nb](=O)[O-].O=[Ti](O)O.[K+].[Ta+5].
What is the InChIKey of potassium;dihydroxy(oxo)titanium;hexakis(oxido(dioxo)niobium);tantalum(5+)?
The InChIKey is QKNUGMYFUPEZRS-UHFFFAOYSA-L. The full InChI is InChI=1S/K.6Nb.2H2O.19O.Ta.Ti/h;;;;;;;2*1H2;;;;;;;;;;;;;;;;;;;;;/q+1;;;;;;;;;;;;;;;;;;;;;;6*-1;+5;+2/p-2.
What are the key properties of potassium;dihydroxy(oxo)titanium;hexakis(oxido(dioxo)niobium);tantalum(5+)?
potassium;dihydroxy(oxo)titanium;hexakis(oxido(dioxo)niobium);tantalum(5+) has a molecular weight of 1163.34 g/mol, XLogP of -12.81, 0 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;dihydroxy(oxo)titanium;hexakis(oxido(dioxo)niobium);tantalum(5+) is sourced from PubChem (CID 19016950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).