dipotassium;sodium;bis(dihydrogen phosphate);chloride

H4ClK2NaO8P2 — CID 161050974

IUPACdipotassium;sodium;bis(dihydrogen phosphate);chloride
SMILESO=P([O-])(O)O.O=P([O-])(O)O.[Cl-].[K+].[K+].[Na+]
InChIInChI=1S/ClH.2K.Na.2H3O4P/c;;;;2*1-5(2,3)4/h1H;;;;2*(H3,1,2,3,4)/q;3*+1;;/p-3
InChIKeyUCDBVGHCCNOKMF-UHFFFAOYSA-K
MW330.61 g/mol
LogP-15.11
Rot. Bonds

About dipotassium;sodium;bis(dihydrogen phosphate);chloride

dipotassium;sodium;bis(dihydrogen phosphate);chloride (PubChem CID 161050974) has the molecular formula H4ClK2NaO8P2 and a molecular weight of 330.61 g/mol. Its IUPAC name is dipotassium;sodium;bis(dihydrogen phosphate);chloride.

Molecular Properties

Compound Namedipotassium;sodium;bis(dihydrogen phosphate);chloride
PubChem CID161050974
Molecular FormulaH4ClK2NaO8P2
Molecular Weight330.61 g/mol
Exact Mass329.82
IUPAC Namedipotassium;sodium;bis(dihydrogen phosphate);chloride
SMILESO=P([O-])(O)O.O=P([O-])(O)O.[Cl-].[K+].[K+].[Na+]
InChIInChI=1S/ClH.2K.Na.2H3O4P/c;;;;2*1-5(2,3)4/h1H;;;;2*(H3,1,2,3,4)/q;3*+1;;/p-3
InChIKeyUCDBVGHCCNOKMF-UHFFFAOYSA-K
XLogP-15.11
TPSA161.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.61
LogP ≤ 5-15.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium;sodium;dihydrogen phosphate;chloride
CID 161315092
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calcium;sodium;dihydrogen phosphate;dichloride
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potassium;disodium;dihydrogen phosphate;phosphoric acid;dihydroxide
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disodium;dihydrogen phosphate;hydride
CID 160585046
potassium;dihydrogen phosphate;hexahydrofluoride
CID 172717115
tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate
CID 19757615
disodium;dihydrogen phosphate;fluoride
CID 159057923
dipotassium;bis(dihydrogen phosphate);phosphoric acid
CID 19756002
sodium;dihydrogen phosphate;pentahydrate
CID 141311131
calcium;magnesium;dipotassium;sodium;dihydrogen phosphate;hydrogen phosphate;chloride;phosphate
CID 174304543

Frequently Asked Questions

What is the IUPAC name of dipotassium;sodium;bis(dihydrogen phosphate);chloride?
The IUPAC name of dipotassium;sodium;bis(dihydrogen phosphate);chloride (CID 161050974) is dipotassium;sodium;bis(dihydrogen phosphate);chloride.
What is the SMILES notation for dipotassium;sodium;bis(dihydrogen phosphate);chloride?
The canonical SMILES for dipotassium;sodium;bis(dihydrogen phosphate);chloride is O=P([O-])(O)O.O=P([O-])(O)O.[Cl-].[K+].[K+].[Na+].
What is the InChIKey of dipotassium;sodium;bis(dihydrogen phosphate);chloride?
The InChIKey is UCDBVGHCCNOKMF-UHFFFAOYSA-K. The full InChI is InChI=1S/ClH.2K.Na.2H3O4P/c;;;;2*1-5(2,3)4/h1H;;;;2*(H3,1,2,3,4)/q;3*+1;;/p-3.
What are the key properties of dipotassium;sodium;bis(dihydrogen phosphate);chloride?
dipotassium;sodium;bis(dihydrogen phosphate);chloride has a molecular weight of 330.61 g/mol, XLogP of -15.11, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;sodium;bis(dihydrogen phosphate);chloride is sourced from PubChem (CID 161050974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).