dipotassium;dizinc;hexakis(2-hydroxypropanoate)

C18H30K2O18Zn2 — CID 160618147

IUPACdipotassium;dizinc;hexakis(2-hydroxypropanoate)
SMILESCC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].[K+].[K+].[Zn+2].[Zn+2]
InChIInChI=1S/6C3H6O3.2K.2Zn/c6*1-2(4)3(5)6;;;;/h6*2,4H,1H3,(H,5,6);;;;/q;;;;;;2*+1;2*+2/p-6
InChIKeyRGIXOFARYFGDDL-UHFFFAOYSA-H
MW743.40 g/mol
LogP-17.29
Rot. Bonds6

About dipotassium;dizinc;hexakis(2-hydroxypropanoate)

dipotassium;dizinc;hexakis(2-hydroxypropanoate) (PubChem CID 160618147) has the molecular formula C18H30K2O18Zn2 and a molecular weight of 743.40 g/mol. Its IUPAC name is dipotassium;dizinc;hexakis(2-hydroxypropanoate).

Molecular Properties

Compound Namedipotassium;dizinc;hexakis(2-hydroxypropanoate)
PubChem CID160618147
Molecular FormulaC18H30K2O18Zn2
Molecular Weight743.40 g/mol
Exact Mass739.93
IUPAC Namedipotassium;dizinc;hexakis(2-hydroxypropanoate)
SMILESCC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].[K+].[K+].[Zn+2].[Zn+2]
InChIInChI=1S/6C3H6O3.2K.2Zn/c6*1-2(4)3(5)6;;;;/h6*2,4H,1H3,(H,5,6);;;;/q;;;;;;2*+1;2*+2/p-6
InChIKeyRGIXOFARYFGDDL-UHFFFAOYSA-H
XLogP-17.29
TPSA362.16 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500743.40
LogP ≤ 5-17.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Related Compounds

potassium;zinc;tris(2-hydroxypropanoate)
CID 86746346
potassium 2-hydroxypropanoate
CID 23671663
potassium;2-hydroxypropanoate;zirconium
CID 87220091
silver (2R)-2-hydroxypropanoate
CID 14178856
aluminum tris((2R)-2-hydroxypropanoate)
CID 175713416
iodanium 2-hydroxypropanoate
CID 158316585
copper bis(2-hydroxypropanoate)
CID 13145
tris(2-hydroxypropanoate);zirconium(3+)
CID 3048680
bis(2-hydroxypropanoate);nickel(2+)
CID 15920056
2-hydroxypropanoate;tantalum(5+)
CID 172796362
strontium bis(2-hydroxypropanoate)
CID 91886528
gold(3+);tris(2-hydroxypropanoate)
CID 157164422

Frequently Asked Questions

What is the IUPAC name of dipotassium;dizinc;hexakis(2-hydroxypropanoate)?
The IUPAC name of dipotassium;dizinc;hexakis(2-hydroxypropanoate) (CID 160618147) is dipotassium;dizinc;hexakis(2-hydroxypropanoate).
What is the SMILES notation for dipotassium;dizinc;hexakis(2-hydroxypropanoate)?
The canonical SMILES for dipotassium;dizinc;hexakis(2-hydroxypropanoate) is CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].[K+].[K+].[Zn+2].[Zn+2].
What is the InChIKey of dipotassium;dizinc;hexakis(2-hydroxypropanoate)?
The InChIKey is RGIXOFARYFGDDL-UHFFFAOYSA-H. The full InChI is InChI=1S/6C3H6O3.2K.2Zn/c6*1-2(4)3(5)6;;;;/h6*2,4H,1H3,(H,5,6);;;;/q;;;;;;2*+1;2*+2/p-6.
What are the key properties of dipotassium;dizinc;hexakis(2-hydroxypropanoate)?
dipotassium;dizinc;hexakis(2-hydroxypropanoate) has a molecular weight of 743.40 g/mol, XLogP of -17.29, 6 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;dizinc;hexakis(2-hydroxypropanoate) is sourced from PubChem (CID 160618147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).