tris(titanium(4+));tungsten;decaphosphate

O40P10Ti3W3-18 — CID 173472598

IUPACtris(titanium(4+));tungsten;decaphosphate
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-].[Ti+4].[Ti+4].[Ti+4].[W].[W].[W]
InChIInChI=1S/10H3O4P.3Ti.3W/c10*1-5(2,3)4;;;;;;/h10*(H3,1,2,3,4);;;;;;/q;;;;;;;;;;3*+4;;;/p-30
InChIKeyFWUKMMVBJUIUGI-UHFFFAOYSA-A
MW1644.82 g/mol
LogP-28.26
Rot. Bonds

About tris(titanium(4+));tungsten;decaphosphate

tris(titanium(4+));tungsten;decaphosphate (PubChem CID 173472598) has the molecular formula O40P10Ti3W3-18 and a molecular weight of 1644.82 g/mol. Its IUPAC name is tris(titanium(4+));tungsten;decaphosphate.

Molecular Properties

Compound Nametris(titanium(4+));tungsten;decaphosphate
PubChem CID173472598
Molecular FormulaO40P10Ti3W3-18
Molecular Weight1644.82 g/mol
Exact Mass1645.24
IUPAC Nametris(titanium(4+));tungsten;decaphosphate
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-].[Ti+4].[Ti+4].[Ti+4].[W].[W].[W]
InChIInChI=1S/10H3O4P.3Ti.3W/c10*1-5(2,3)4;;;;;;/h10*(H3,1,2,3,4);;;;;;/q;;;;;;;;;;3*+4;;;/p-30
InChIKeyFWUKMMVBJUIUGI-UHFFFAOYSA-A
XLogP-28.26
TPSA862.50 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001644.82
LogP ≤ 5-28.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

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Related Compounds

tungsten;tetraphosphate
CID 157061714
tris(titanium(4+));tetraphosphate;dihydrate
CID 172694967
potassium;titanium(4+);phosphate;hydrofluoride
CID 175771555
dialuminum;lithium;titanium(4+);phosphate
CID 157281489
azane;hydron;titanium(4+);phosphate
CID 173494931
trialuminum;tridecalithium;heptadecakis(titanium(4+));triacontaphosphate
CID 172871694
bis(gadolinium(3+)) diphosphate
CID 172754975
trialuminum;triphosphate
CID 23371115
CID 23618823
CID 23618823
methane phosphate
CID 22352647
gadolinium phosphate
CID 6365243
dysprosium(3+) phosphate
CID 14671408

Frequently Asked Questions

What is the IUPAC name of tris(titanium(4+));tungsten;decaphosphate?
The IUPAC name of tris(titanium(4+));tungsten;decaphosphate (CID 173472598) is tris(titanium(4+));tungsten;decaphosphate.
What is the SMILES notation for tris(titanium(4+));tungsten;decaphosphate?
The canonical SMILES for tris(titanium(4+));tungsten;decaphosphate 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-].[Ti+4].[Ti+4].[Ti+4].[W].[W].[W].
What is the InChIKey of tris(titanium(4+));tungsten;decaphosphate?
The InChIKey is FWUKMMVBJUIUGI-UHFFFAOYSA-A. The full InChI is InChI=1S/10H3O4P.3Ti.3W/c10*1-5(2,3)4;;;;;;/h10*(H3,1,2,3,4);;;;;;/q;;;;;;;;;;3*+4;;;/p-30.
What are the key properties of tris(titanium(4+));tungsten;decaphosphate?
tris(titanium(4+));tungsten;decaphosphate has a molecular weight of 1644.82 g/mol, XLogP of -28.26, 0 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for tris(titanium(4+));tungsten;decaphosphate is sourced from PubChem (CID 173472598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).