potassium;hydrogen sulfate;2-hydroxypropane-1,2,3-tricarboxylic acid

C6H9KO11S — CID 158620853

IUPACpotassium;hydrogen sulfate;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=S(=O)([O-])O.[K+]
InChIInChI=1S/C6H8O7.K.H2O4S/c7-3(8)1-6(13,5(11)12)2-4(9)10;;1-5(2,3)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;(H2,1,2,3,4)/q;+1;/p-1
InChIKeyHXYWKKRVRINFTQ-UHFFFAOYSA-M
MW328.29 g/mol
LogP-5.24
Rot. Bonds5

About potassium;hydrogen sulfate;2-hydroxypropane-1,2,3-tricarboxylic acid

potassium;hydrogen sulfate;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 158620853) has the molecular formula C6H9KO11S and a molecular weight of 328.29 g/mol. Its IUPAC name is potassium;hydrogen sulfate;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound Namepotassium;hydrogen sulfate;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID158620853
Molecular FormulaC6H9KO11S
Molecular Weight328.29 g/mol
Exact Mass327.95
IUPAC Namepotassium;hydrogen sulfate;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=S(=O)([O-])O.[K+]
InChIInChI=1S/C6H8O7.K.H2O4S/c7-3(8)1-6(13,5(11)12)2-4(9)10;;1-5(2,3)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;(H2,1,2,3,4)/q;+1;/p-1
InChIKeyHXYWKKRVRINFTQ-UHFFFAOYSA-M
XLogP-5.24
TPSA209.56 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 5-5.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

sodium;azane;hydrogen sulfate;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173041463
bis(2-hydroxypropane-1,2,3-tricarboxylic acid);sulfuric acid
CID 157056934
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);sulfuric acid;zinc
CID 174551942
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11587493
lithium;potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173039774
bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 170923205
aluminum;3-carboxy-3,5-dihydroxy-5-oxopentanoate;sulfate
CID 88670919
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
CID 173006490
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173006483
potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
CID 173006482
potassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);titanium
CID 173322297
dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 174842577

Frequently Asked Questions

What is the IUPAC name of potassium;hydrogen sulfate;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of potassium;hydrogen sulfate;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 158620853) is potassium;hydrogen sulfate;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for potassium;hydrogen sulfate;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for potassium;hydrogen sulfate;2-hydroxypropane-1,2,3-tricarboxylic acid is O=C(O)CC(O)(CC(=O)O)C(=O)O.O=S(=O)([O-])O.[K+].
What is the InChIKey of potassium;hydrogen sulfate;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is HXYWKKRVRINFTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8O7.K.H2O4S/c7-3(8)1-6(13,5(11)12)2-4(9)10;;1-5(2,3)4/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;(H2,1,2,3,4)/q;+1;/p-1.
What are the key properties of potassium;hydrogen sulfate;2-hydroxypropane-1,2,3-tricarboxylic acid?
potassium;hydrogen sulfate;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 328.29 g/mol, XLogP of -5.24, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydrogen sulfate;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 158620853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).