tripotassium;1,2-dihydroxyethane-1,1,2-tricarboxylate

C5H3K3O8 — CID 155943519

IUPACtripotassium;1,2-dihydroxyethane-1,1,2-tricarboxylate
SMILESO=C([O-])C(O)C(O)(C(=O)[O-])C(=O)[O-].[K+].[K+].[K+]
InChIInChI=1S/C5H6O8.3K/c6-1(2(7)8)5(13,3(9)10)4(11)12;;;/h1,6,13H,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3
InChIKeyNSKOWLYVXMPDQW-UHFFFAOYSA-K
MW308.37 g/mol
LogP-15.66
Rot. Bonds4

About tripotassium;1,2-dihydroxyethane-1,1,2-tricarboxylate

tripotassium;1,2-dihydroxyethane-1,1,2-tricarboxylate (PubChem CID 155943519) has the molecular formula C5H3K3O8 and a molecular weight of 308.37 g/mol. Its IUPAC name is tripotassium;1,2-dihydroxyethane-1,1,2-tricarboxylate.

Molecular Properties

Compound Nametripotassium;1,2-dihydroxyethane-1,1,2-tricarboxylate
PubChem CID155943519
Molecular FormulaC5H3K3O8
Molecular Weight308.37 g/mol
Exact Mass307.87
IUPAC Nametripotassium;1,2-dihydroxyethane-1,1,2-tricarboxylate
SMILESO=C([O-])C(O)C(O)(C(=O)[O-])C(=O)[O-].[K+].[K+].[K+]
InChIInChI=1S/C5H6O8.3K/c6-1(2(7)8)5(13,3(9)10)4(11)12;;;/h1,6,13H,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3
InChIKeyNSKOWLYVXMPDQW-UHFFFAOYSA-K
XLogP-15.66
TPSA160.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 5-15.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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3,3,3-trifluoro-2-hydroxypropanoate
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(2S)-3,3,3-trifluoro-2-hydroxypropanoate
CID 7457722
potassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate)
CID 90471392
potassium 2-hydroxypropanoate
CID 23671663
potassium;2,3-dihydroxybutanedioate;zirconium(2+)
CID 19373860
potassium (2R,3S)-2-benzoyl-2,3,4-trihydroxy-4-oxobutanoate
CID 67717509
magnesium;dipotassium;1-hydroxy-2-oxidopropane-1,2,3-tricarboxylate;hydroxide
CID 156673974
dizinc bis(2,3-dihydroxy-2-(2-sulfanylethyl)butanedioate)
CID 161154654
2,3-dihydroxybutanedioate
CID 19608871
potassium;2-hydroxypropanoate;zirconium
CID 87220091

Frequently Asked Questions

What is the IUPAC name of tripotassium;1,2-dihydroxyethane-1,1,2-tricarboxylate?
The IUPAC name of tripotassium;1,2-dihydroxyethane-1,1,2-tricarboxylate (CID 155943519) is tripotassium;1,2-dihydroxyethane-1,1,2-tricarboxylate.
What is the SMILES notation for tripotassium;1,2-dihydroxyethane-1,1,2-tricarboxylate?
The canonical SMILES for tripotassium;1,2-dihydroxyethane-1,1,2-tricarboxylate is O=C([O-])C(O)C(O)(C(=O)[O-])C(=O)[O-].[K+].[K+].[K+].
What is the InChIKey of tripotassium;1,2-dihydroxyethane-1,1,2-tricarboxylate?
The InChIKey is NSKOWLYVXMPDQW-UHFFFAOYSA-K. The full InChI is InChI=1S/C5H6O8.3K/c6-1(2(7)8)5(13,3(9)10)4(11)12;;;/h1,6,13H,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3.
What are the key properties of tripotassium;1,2-dihydroxyethane-1,1,2-tricarboxylate?
tripotassium;1,2-dihydroxyethane-1,1,2-tricarboxylate has a molecular weight of 308.37 g/mol, XLogP of -15.66, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;1,2-dihydroxyethane-1,1,2-tricarboxylate is sourced from PubChem (CID 155943519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).