tripotassium;tris(ethane-1,2-diol);phosphate

C6H18K3O10P — CID 19811130

IUPACtripotassium;tris(ethane-1,2-diol);phosphate
SMILESO=P([O-])([O-])[O-].OCCO.OCCO.OCCO.[K+].[K+].[K+]
InChIInChI=1S/3C2H6O2.3K.H3O4P/c3*3-1-2-4;;;;1-5(2,3)4/h3*3-4H,1-2H2;;;;(H3,1,2,3,4)/q;;;3*+1;/p-3
InChIKeyJLKIVBBERNDJMH-UHFFFAOYSA-K
MW398.47 g/mol
LogP-14.90
Rot. Bonds3

About tripotassium;tris(ethane-1,2-diol);phosphate

tripotassium;tris(ethane-1,2-diol);phosphate (PubChem CID 19811130) has the molecular formula C6H18K3O10P and a molecular weight of 398.47 g/mol. Its IUPAC name is tripotassium;tris(ethane-1,2-diol);phosphate.

Molecular Properties

Compound Nametripotassium;tris(ethane-1,2-diol);phosphate
PubChem CID19811130
Molecular FormulaC6H18K3O10P
Molecular Weight398.47 g/mol
Exact Mass397.95
IUPAC Nametripotassium;tris(ethane-1,2-diol);phosphate
SMILESO=P([O-])([O-])[O-].OCCO.OCCO.OCCO.[K+].[K+].[K+]
InChIInChI=1S/3C2H6O2.3K.H3O4P/c3*3-1-2-4;;;;1-5(2,3)4/h3*3-4H,1-2H2;;;;(H3,1,2,3,4)/q;;;3*+1;/p-3
InChIKeyJLKIVBBERNDJMH-UHFFFAOYSA-K
XLogP-14.90
TPSA207.63 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 5-14.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

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potassium;antimony(3+);phosphate
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dipotassium;disodium;phosphate
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azane;ethane-1,2-diol;phosphoric acid
CID 174794036

Frequently Asked Questions

What is the IUPAC name of tripotassium;tris(ethane-1,2-diol);phosphate?
The IUPAC name of tripotassium;tris(ethane-1,2-diol);phosphate (CID 19811130) is tripotassium;tris(ethane-1,2-diol);phosphate.
What is the SMILES notation for tripotassium;tris(ethane-1,2-diol);phosphate?
The canonical SMILES for tripotassium;tris(ethane-1,2-diol);phosphate is O=P([O-])([O-])[O-].OCCO.OCCO.OCCO.[K+].[K+].[K+].
What is the InChIKey of tripotassium;tris(ethane-1,2-diol);phosphate?
The InChIKey is JLKIVBBERNDJMH-UHFFFAOYSA-K. The full InChI is InChI=1S/3C2H6O2.3K.H3O4P/c3*3-1-2-4;;;;1-5(2,3)4/h3*3-4H,1-2H2;;;;(H3,1,2,3,4)/q;;;3*+1;/p-3.
What are the key properties of tripotassium;tris(ethane-1,2-diol);phosphate?
tripotassium;tris(ethane-1,2-diol);phosphate has a molecular weight of 398.47 g/mol, XLogP of -14.90, 3 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;tris(ethane-1,2-diol);phosphate is sourced from PubChem (CID 19811130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).