dipotassium;2-hydroxy-2-oxoacetate;propane-1,2,3-triol;acetate

C7H12K2O9 — CID 174642069

IUPACdipotassium;2-hydroxy-2-oxoacetate;propane-1,2,3-triol;acetate
SMILESCC(=O)[O-].O=C([O-])C(=O)O.OCC(O)CO.[K+].[K+]
InChIInChI=1S/C3H8O3.C2H2O4.C2H4O2.2K/c4-1-3(6)2-5;3-1(4)2(5)6;1-2(3)4;;/h3-6H,1-2H2;(H,3,4)(H,5,6);1H3,(H,3,4);;/q;;;2*+1/p-2
InChIKeyWMKBBMALCAJHSZ-UHFFFAOYSA-L
MW318.36 g/mol
LogP-11.08
Rot. Bonds2

About dipotassium;2-hydroxy-2-oxoacetate;propane-1,2,3-triol;acetate

dipotassium;2-hydroxy-2-oxoacetate;propane-1,2,3-triol;acetate (PubChem CID 174642069) has the molecular formula C7H12K2O9 and a molecular weight of 318.36 g/mol. Its IUPAC name is dipotassium;2-hydroxy-2-oxoacetate;propane-1,2,3-triol;acetate.

Molecular Properties

Compound Namedipotassium;2-hydroxy-2-oxoacetate;propane-1,2,3-triol;acetate
PubChem CID174642069
Molecular FormulaC7H12K2O9
Molecular Weight318.36 g/mol
Exact Mass317.98
IUPAC Namedipotassium;2-hydroxy-2-oxoacetate;propane-1,2,3-triol;acetate
SMILESCC(=O)[O-].O=C([O-])C(=O)O.OCC(O)CO.[K+].[K+]
InChIInChI=1S/C3H8O3.C2H2O4.C2H4O2.2K/c4-1-3(6)2-5;3-1(4)2(5)6;1-2(3)4;;/h3-6H,1-2H2;(H,3,4)(H,5,6);1H3,(H,3,4);;/q;;;2*+1/p-2
InChIKeyWMKBBMALCAJHSZ-UHFFFAOYSA-L
XLogP-11.08
TPSA178.25 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 5-11.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

potassium;propane-1,2,3-triol;acetate
CID 23700856
propane-1,2,3-triol;propan-2-ol;acetate
CID 22641262
bis(2-oxopropanoic acid);bis(propane-1,2,3-triol)
CID 175927088
acetic acid;propane-1,2,3-triol;propan-2-one
CID 158983887
acetic acid;ethane-1,2-diol;propane-1,2,3-triol
CID 174966848
butanoate;bis(propane-1,2,3-triol)
CID 19376075
zinc;bis(2-hydroxypropanoate);propane-1,2,3-triol
CID 158465195
2,3-dihydroxypropyl(dimethyl)sulfanium acetate
CID 130145116
sodium;propane-1,2-diol;acetate
CID 88844727
3,5,6-trihydroxyhexanoate
CID 22623307
2,2-diacetyl-3-oxobutanoic acid;propane-1,2,3-triol
CID 158102004
2-methylprop-2-enoic acid;phosphoric acid;propane-1,2,3-triol
CID 122512063

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-hydroxy-2-oxoacetate;propane-1,2,3-triol;acetate?
The IUPAC name of dipotassium;2-hydroxy-2-oxoacetate;propane-1,2,3-triol;acetate (CID 174642069) is dipotassium;2-hydroxy-2-oxoacetate;propane-1,2,3-triol;acetate.
What is the SMILES notation for dipotassium;2-hydroxy-2-oxoacetate;propane-1,2,3-triol;acetate?
The canonical SMILES for dipotassium;2-hydroxy-2-oxoacetate;propane-1,2,3-triol;acetate is CC(=O)[O-].O=C([O-])C(=O)O.OCC(O)CO.[K+].[K+].
What is the InChIKey of dipotassium;2-hydroxy-2-oxoacetate;propane-1,2,3-triol;acetate?
The InChIKey is WMKBBMALCAJHSZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H8O3.C2H2O4.C2H4O2.2K/c4-1-3(6)2-5;3-1(4)2(5)6;1-2(3)4;;/h3-6H,1-2H2;(H,3,4)(H,5,6);1H3,(H,3,4);;/q;;;2*+1/p-2.
What are the key properties of dipotassium;2-hydroxy-2-oxoacetate;propane-1,2,3-triol;acetate?
dipotassium;2-hydroxy-2-oxoacetate;propane-1,2,3-triol;acetate has a molecular weight of 318.36 g/mol, XLogP of -11.08, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-hydroxy-2-oxoacetate;propane-1,2,3-triol;acetate is sourced from PubChem (CID 174642069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).