tripotassium;benzoic acid;phosphate

C7H6K3O6P — CID 174758799

IUPACtripotassium;benzoic acid;phosphate
SMILESO=C(O)c1ccccc1.O=P([O-])([O-])[O-].[K+].[K+].[K+]
InChIInChI=1S/C7H6O2.3K.H3O4P/c8-7(9)6-4-2-1-3-5-6;;;;1-5(2,3)4/h1-5H,(H,8,9);;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyZYJOKXKSIFTMKD-UHFFFAOYSA-K
MW334.39 g/mol
LogP-10.43
Rot. Bonds1

About tripotassium;benzoic acid;phosphate

tripotassium;benzoic acid;phosphate (PubChem CID 174758799) has the molecular formula C7H6K3O6P and a molecular weight of 334.39 g/mol. Its IUPAC name is tripotassium;benzoic acid;phosphate.

Molecular Properties

Compound Nametripotassium;benzoic acid;phosphate
PubChem CID174758799
Molecular FormulaC7H6K3O6P
Molecular Weight334.39 g/mol
Exact Mass333.88
IUPAC Nametripotassium;benzoic acid;phosphate
SMILESO=C(O)c1ccccc1.O=P([O-])([O-])[O-].[K+].[K+].[K+]
InChIInChI=1S/C7H6O2.3K.H3O4P/c8-7(9)6-4-2-1-3-5-6;;;;1-5(2,3)4/h1-5H,(H,8,9);;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyZYJOKXKSIFTMKD-UHFFFAOYSA-K
XLogP-10.43
TPSA123.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 5-10.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tripotassium;benzoic acid;phosphate?
The IUPAC name of tripotassium;benzoic acid;phosphate (CID 174758799) is tripotassium;benzoic acid;phosphate.
What is the SMILES notation for tripotassium;benzoic acid;phosphate?
The canonical SMILES for tripotassium;benzoic acid;phosphate is O=C(O)c1ccccc1.O=P([O-])([O-])[O-].[K+].[K+].[K+].
What is the InChIKey of tripotassium;benzoic acid;phosphate?
The InChIKey is ZYJOKXKSIFTMKD-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H6O2.3K.H3O4P/c8-7(9)6-4-2-1-3-5-6;;;;1-5(2,3)4/h1-5H,(H,8,9);;;;(H3,1,2,3,4)/q;3*+1;/p-3.
What are the key properties of tripotassium;benzoic acid;phosphate?
tripotassium;benzoic acid;phosphate has a molecular weight of 334.39 g/mol, XLogP of -10.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;benzoic acid;phosphate is sourced from PubChem (CID 174758799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).