potassium;barium(2+);dihydrogen phosphate;dihydroxide

H4BaKO6P — CID 175597412

IUPACpotassium;barium(2+);dihydrogen phosphate;dihydroxide
SMILESO=P([O-])(O)O.[Ba+2].[K+].[OH-].[OH-]
InChIInChI=1S/Ba.K.H3O4P.2H2O/c;;1-5(2,3)4;;/h;;(H3,1,2,3,4);2*1H2/q+2;+1;;;/p-3
InChIKeyFQVVMZNAMSQQEW-UHFFFAOYSA-K
MW307.43 g/mol
LogP-5.29
Rot. Bonds

About potassium;barium(2+);dihydrogen phosphate;dihydroxide

potassium;barium(2+);dihydrogen phosphate;dihydroxide (PubChem CID 175597412) has the molecular formula H4BaKO6P and a molecular weight of 307.43 g/mol. Its IUPAC name is potassium;barium(2+);dihydrogen phosphate;dihydroxide.

Molecular Properties

Compound Namepotassium;barium(2+);dihydrogen phosphate;dihydroxide
PubChem CID175597412
Molecular FormulaH4BaKO6P
Molecular Weight307.43 g/mol
Exact Mass307.84
IUPAC Namepotassium;barium(2+);dihydrogen phosphate;dihydroxide
SMILESO=P([O-])(O)O.[Ba+2].[K+].[OH-].[OH-]
InChIInChI=1S/Ba.K.H3O4P.2H2O/c;;1-5(2,3)4;;/h;;(H3,1,2,3,4);2*1H2/q+2;+1;;;/p-3
InChIKeyFQVVMZNAMSQQEW-UHFFFAOYSA-K
XLogP-5.29
TPSA140.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 5-5.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium;disodium;dihydrogen phosphate;phosphoric acid;dihydroxide
CID 159576938
dipotassium;bis(dihydrogen phosphate);phosphoric acid
CID 19756002
potassium;dihydrogen phosphate;hexahydrofluoride
CID 172717115
potassium;sodium;dihydrogen phosphate;chloride
CID 161315092
calcium;dihydrogen phosphate;nickel(2+);phosphate
CID 157380067
dihydrogen phosphate;molybdenum(4+);trihydroxide;hydrate
CID 170999822
dipotassium;sodium;bis(dihydrogen phosphate);chloride
CID 161050974
sodium dihydroxy(32P)phosphinate
CID 23694678
zinc bis(dihydrogen phosphate)
CID 11253952
dizinc;tetrakis(dihydrogen phosphate)
CID 161370337
tetrakis(dihydrogen phosphate);zirconium(4+)
CID 22328152
hexakis(dihydrogen phosphate);molybdenum
CID 18504359

Frequently Asked Questions

What is the IUPAC name of potassium;barium(2+);dihydrogen phosphate;dihydroxide?
The IUPAC name of potassium;barium(2+);dihydrogen phosphate;dihydroxide (CID 175597412) is potassium;barium(2+);dihydrogen phosphate;dihydroxide.
What is the SMILES notation for potassium;barium(2+);dihydrogen phosphate;dihydroxide?
The canonical SMILES for potassium;barium(2+);dihydrogen phosphate;dihydroxide is O=P([O-])(O)O.[Ba+2].[K+].[OH-].[OH-].
What is the InChIKey of potassium;barium(2+);dihydrogen phosphate;dihydroxide?
The InChIKey is FQVVMZNAMSQQEW-UHFFFAOYSA-K. The full InChI is InChI=1S/Ba.K.H3O4P.2H2O/c;;1-5(2,3)4;;/h;;(H3,1,2,3,4);2*1H2/q+2;+1;;;/p-3.
What are the key properties of potassium;barium(2+);dihydrogen phosphate;dihydroxide?
potassium;barium(2+);dihydrogen phosphate;dihydroxide has a molecular weight of 307.43 g/mol, XLogP of -5.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;barium(2+);dihydrogen phosphate;dihydroxide is sourced from PubChem (CID 175597412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).