tripotassium;(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate

C6H5K3O8 — CID 71587862

IUPACtripotassium;(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate
SMILESO=C([O-])C[C@@](O)(C(=O)[O-])[C@H](O)C(=O)[O-].[K+].[K+].[K+]
InChIInChI=1S/C6H8O8.3K/c7-2(8)1-6(14,5(12)13)3(9)4(10)11;;;/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q;3*+1/p-3/t3-,6+;;;/m1.../s1
InChIKeyVYYWVGGAJXBBCA-YIRLFHOGSA-K
MW322.39 g/mol
LogP-15.27
Rot. Bonds5

About tripotassium;(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate

tripotassium;(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate (PubChem CID 71587862) has the molecular formula C6H5K3O8 and a molecular weight of 322.39 g/mol. Its IUPAC name is tripotassium;(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametripotassium;(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate
PubChem CID71587862
Molecular FormulaC6H5K3O8
Molecular Weight322.39 g/mol
Exact Mass321.89
IUPAC Nametripotassium;(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate
SMILESO=C([O-])C[C@@](O)(C(=O)[O-])[C@H](O)C(=O)[O-].[K+].[K+].[K+]
InChIInChI=1S/C6H8O8.3K/c7-2(8)1-6(14,5(12)13)3(9)4(10)11;;;/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q;3*+1/p-3/t3-,6+;;;/m1.../s1
InChIKeyVYYWVGGAJXBBCA-YIRLFHOGSA-K
XLogP-15.27
TPSA160.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 5-15.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

dicopper;2-aminoacetate;1,2-dihydroxypropane-1,2,3-tricarboxylate
CID 173124553
2-[carboxy(hydroxy)methyl]-2-hydroxybutanedioate
CID 4093067
calcium 3-carboxy-2,3-dihydroxypentanedioate
CID 170914892
2-hydroxy-4-methylpentane-1,2,3-tricarboxylate
CID 22362002
magnesium;dipotassium;1-hydroxy-2-oxidopropane-1,2,3-tricarboxylate;hydroxide
CID 156673974
dizinc bis(2,3-dihydroxy-2-(2-sulfanylethyl)butanedioate)
CID 161154654
tripotassium;1,2-dihydroxyethane-1,1,2-tricarboxylate
CID 155943519
tricalcium;magnesium;pentapotassium;1,2-dihydroxy-4-oxidooxybutane-1,2-diolate;bis(1,2-dihydroxypropane-1,2,3-tricarboxylate);formaldehyde;3-(hydroperoxymethyl)-2-hydroxy-3-oxidopentanedioate;hydroxide
CID 162277697
tripotassium;3-carboxy-2-hydroxy-3-oxidopentanedioate
CID 172638618
3-carboxy-3,4,5-trihydroxy-5-oxopentanoate;bis(yttrium)
CID 58097663
dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate
CID 15251596
bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate
CID 19784307

Frequently Asked Questions

What is the IUPAC name of tripotassium;(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate?
The IUPAC name of tripotassium;(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate (CID 71587862) is tripotassium;(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate.
What is the SMILES notation for tripotassium;(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate?
The canonical SMILES for tripotassium;(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate is O=C([O-])C[C@@](O)(C(=O)[O-])[C@H](O)C(=O)[O-].[K+].[K+].[K+].
What is the InChIKey of tripotassium;(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate?
The InChIKey is VYYWVGGAJXBBCA-YIRLFHOGSA-K. The full InChI is InChI=1S/C6H8O8.3K/c7-2(8)1-6(14,5(12)13)3(9)4(10)11;;;/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q;3*+1/p-3/t3-,6+;;;/m1.../s1.
What are the key properties of tripotassium;(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate?
tripotassium;(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate has a molecular weight of 322.39 g/mol, XLogP of -15.27, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 71587862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).