pentapotassium;dioxido(oxo)titanium;phosphate

K5O7PTi — CID 173033636

IUPACpentapotassium;dioxido(oxo)titanium;phosphate
SMILESO=P([O-])([O-])[O-].O=[Ti]([O-])[O-].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/5K.H3O4P.3O.Ti/c;;;;;1-5(2,3)4;;;;/h;;;;;(H3,1,2,3,4);;;;/q5*+1;;;2*-1;/p-3
InChIKeyGISMPRCEHDXZBD-UHFFFAOYSA-K
MW386.32 g/mol
LogP-20.30
Rot. Bonds

About pentapotassium;dioxido(oxo)titanium;phosphate

pentapotassium;dioxido(oxo)titanium;phosphate (PubChem CID 173033636) has the molecular formula K5O7PTi and a molecular weight of 386.32 g/mol. Its IUPAC name is pentapotassium;dioxido(oxo)titanium;phosphate.

Molecular Properties

Compound Namepentapotassium;dioxido(oxo)titanium;phosphate
PubChem CID173033636
Molecular FormulaK5O7PTi
Molecular Weight386.32 g/mol
Exact Mass385.70
IUPAC Namepentapotassium;dioxido(oxo)titanium;phosphate
SMILESO=P([O-])([O-])[O-].O=[Ti]([O-])[O-].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/5K.H3O4P.3O.Ti/c;;;;;1-5(2,3)4;;;;/h;;;;;(H3,1,2,3,4);;;;/q5*+1;;;2*-1;/p-3
InChIKeyGISMPRCEHDXZBD-UHFFFAOYSA-K
XLogP-20.30
TPSA149.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 5-20.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

dipotassium diphosphate
CID 18612384
tripotassium diphosphate
CID 22035217
sodium;tin(4+);phosphate
CID 160930212
potassium;antimony(3+);phosphate
CID 161486980
dipotassium;barium(2+);bis(dioxido(oxo)titanium)
CID 173009495
tetrapotassium;sodium;phosphate
CID 172696103
tripotassium;cerium(3+);diphosphate
CID 133065496
tripotassium;dioxido(oxo)titanium;fluoride
CID 173026949
dipotassium;disodium;phosphate
CID 160926550
magnesium;potassium;phosphate
CID 14367919
dipotassium;zinc;diphosphate
CID 11970412
potassium;vanadium;diphosphate;hydrofluoride
CID 174909509

Frequently Asked Questions

What is the IUPAC name of pentapotassium;dioxido(oxo)titanium;phosphate?
The IUPAC name of pentapotassium;dioxido(oxo)titanium;phosphate (CID 173033636) is pentapotassium;dioxido(oxo)titanium;phosphate.
What is the SMILES notation for pentapotassium;dioxido(oxo)titanium;phosphate?
The canonical SMILES for pentapotassium;dioxido(oxo)titanium;phosphate is O=P([O-])([O-])[O-].O=[Ti]([O-])[O-].[K+].[K+].[K+].[K+].[K+].
What is the InChIKey of pentapotassium;dioxido(oxo)titanium;phosphate?
The InChIKey is GISMPRCEHDXZBD-UHFFFAOYSA-K. The full InChI is InChI=1S/5K.H3O4P.3O.Ti/c;;;;;1-5(2,3)4;;;;/h;;;;;(H3,1,2,3,4);;;;/q5*+1;;;2*-1;/p-3.
What are the key properties of pentapotassium;dioxido(oxo)titanium;phosphate?
pentapotassium;dioxido(oxo)titanium;phosphate has a molecular weight of 386.32 g/mol, XLogP of -20.30, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pentapotassium;dioxido(oxo)titanium;phosphate is sourced from PubChem (CID 173033636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).