tripotassium;cerium(3+);diphosphate

CeK3O8P2 — CID 133065496

IUPACtripotassium;cerium(3+);diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ce+3].[K+].[K+].[K+]
InChIInChI=1S/Ce.3K.2H3O4P/c;;;;2*1-5(2,3)4/h;;;;2*(H3,1,2,3,4)/q+3;3*+1;;/p-6
InChIKeyULHZWTVGOMRTNQ-UHFFFAOYSA-H
MW447.35 g/mol
LogP-14.64
Rot. Bonds

About tripotassium;cerium(3+);diphosphate

tripotassium;cerium(3+);diphosphate (PubChem CID 133065496) has the molecular formula CeK3O8P2 and a molecular weight of 447.35 g/mol. Its IUPAC name is tripotassium;cerium(3+);diphosphate.

Molecular Properties

Compound Nametripotassium;cerium(3+);diphosphate
PubChem CID133065496
Molecular FormulaCeK3O8P2
Molecular Weight447.35 g/mol
Exact Mass446.70
IUPAC Nametripotassium;cerium(3+);diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ce+3].[K+].[K+].[K+]
InChIInChI=1S/Ce.3K.2H3O4P/c;;;;2*1-5(2,3)4/h;;;;2*(H3,1,2,3,4)/q+3;3*+1;;/p-6
InChIKeyULHZWTVGOMRTNQ-UHFFFAOYSA-H
XLogP-14.64
TPSA172.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.35
LogP ≤ 5-14.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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
potassium;antimony(3+);phosphate
CID 161486980
tetrapotassium;sodium;phosphate
CID 172696103
dipotassium;disodium;phosphate
CID 160926550
magnesium;potassium;phosphate
CID 14367919
sodium;cerium(3+);phosphate
CID 159028441
cerium(3+);phosphate;dihydrate
CID 158488180
dipotassium;zinc;diphosphate
CID 11970412
potassium;vanadium;diphosphate;hydrofluoride
CID 174909509
calcium;potassium;phosphate;hydrate
CID 142707779
cerium(3+);zirconium(4+);phosphate;hydrofluoride
CID 157050439

Frequently Asked Questions

What is the IUPAC name of tripotassium;cerium(3+);diphosphate?
The IUPAC name of tripotassium;cerium(3+);diphosphate (CID 133065496) is tripotassium;cerium(3+);diphosphate.
What is the SMILES notation for tripotassium;cerium(3+);diphosphate?
The canonical SMILES for tripotassium;cerium(3+);diphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ce+3].[K+].[K+].[K+].
What is the InChIKey of tripotassium;cerium(3+);diphosphate?
The InChIKey is ULHZWTVGOMRTNQ-UHFFFAOYSA-H. The full InChI is InChI=1S/Ce.3K.2H3O4P/c;;;;2*1-5(2,3)4/h;;;;2*(H3,1,2,3,4)/q+3;3*+1;;/p-6.
What are the key properties of tripotassium;cerium(3+);diphosphate?
tripotassium;cerium(3+);diphosphate has a molecular weight of 447.35 g/mol, XLogP of -14.64, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;cerium(3+);diphosphate is sourced from PubChem (CID 133065496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).