potassium;propane-1,2,3-triol;acetate

C5H11KO5 — CID 23700856

IUPACpotassium;propane-1,2,3-triol;acetate
SMILESCC(=O)[O-].OCC(O)CO.[K+]
InChIInChI=1S/C3H8O3.C2H4O2.K/c4-1-3(6)2-5;1-2(3)4;/h3-6H,1-2H2;1H3,(H,3,4);/q;;+1/p-1
InChIKeyVWQKEKALGIRQCV-UHFFFAOYSA-M
MW190.24 g/mol
LogP-5.91
Rot. Bonds2

About potassium;propane-1,2,3-triol;acetate

potassium;propane-1,2,3-triol;acetate (PubChem CID 23700856) has the molecular formula C5H11KO5 and a molecular weight of 190.24 g/mol. Its IUPAC name is potassium;propane-1,2,3-triol;acetate.

Molecular Properties

Compound Namepotassium;propane-1,2,3-triol;acetate
PubChem CID23700856
Molecular FormulaC5H11KO5
Molecular Weight190.24 g/mol
Exact Mass190.02
IUPAC Namepotassium;propane-1,2,3-triol;acetate
SMILESCC(=O)[O-].OCC(O)CO.[K+]
InChIInChI=1S/C3H8O3.C2H4O2.K/c4-1-3(6)2-5;1-2(3)4;/h3-6H,1-2H2;1H3,(H,3,4);/q;;+1/p-1
InChIKeyVWQKEKALGIRQCV-UHFFFAOYSA-M
XLogP-5.91
TPSA100.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-5.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

dipotassium;2-hydroxy-2-oxoacetate;propane-1,2,3-triol;acetate
CID 174642069
propane-1,2,3-triol;propan-2-ol;acetate
CID 22641262
butanoate;bis(propane-1,2,3-triol)
CID 19376075
acetic acid;propane-1,2,3-triol;propan-2-one
CID 158983887
zinc;bis(2-hydroxypropanoate);propane-1,2,3-triol
CID 158465195
2,3-dihydroxypropyl(dimethyl)sulfanium acetate
CID 130145116
acetic acid;ethane-1,2-diol;propane-1,2,3-triol
CID 174966848
sodium;propane-1,2-diol;acetate
CID 88844727
bis(2-oxopropanoic acid);bis(propane-1,2,3-triol)
CID 175927088
3,5,6-trihydroxyhexanoate
CID 22623307
2,3-dihydroxypropanoate triacetate
CID 22325987
hydroxylamine;1-hydroxypropan-2-one;propane-1,2,3-triol
CID 87631073

Frequently Asked Questions

What is the IUPAC name of potassium;propane-1,2,3-triol;acetate?
The IUPAC name of potassium;propane-1,2,3-triol;acetate (CID 23700856) is potassium;propane-1,2,3-triol;acetate.
What is the SMILES notation for potassium;propane-1,2,3-triol;acetate?
The canonical SMILES for potassium;propane-1,2,3-triol;acetate is CC(=O)[O-].OCC(O)CO.[K+].
What is the InChIKey of potassium;propane-1,2,3-triol;acetate?
The InChIKey is VWQKEKALGIRQCV-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8O3.C2H4O2.K/c4-1-3(6)2-5;1-2(3)4;/h3-6H,1-2H2;1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of potassium;propane-1,2,3-triol;acetate?
potassium;propane-1,2,3-triol;acetate has a molecular weight of 190.24 g/mol, XLogP of -5.91, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;propane-1,2,3-triol;acetate is sourced from PubChem (CID 23700856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).