tripotassium;3-carboxy-2-hydroxy-3-oxidopentanedioate

C6H5K3O8 — CID 172638618

IUPACtripotassium;3-carboxy-2-hydroxy-3-oxidopentanedioate
SMILESO=C([O-])CC([O-])(C(=O)O)C(O)C(=O)[O-].[K+].[K+].[K+]
InChIInChI=1S/C6H7O8.3K/c7-2(8)1-6(14,5(12)13)3(9)4(10)11;;;/h3,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q-1;3*+1/p-2
InChIKeyDLSSHJRNODUYQK-UHFFFAOYSA-L
MW322.39 g/mol
LogP-14.57
Rot. Bonds5

About tripotassium;3-carboxy-2-hydroxy-3-oxidopentanedioate

tripotassium;3-carboxy-2-hydroxy-3-oxidopentanedioate (PubChem CID 172638618) has the molecular formula C6H5K3O8 and a molecular weight of 322.39 g/mol. Its IUPAC name is tripotassium;3-carboxy-2-hydroxy-3-oxidopentanedioate.

Molecular Properties

Compound Nametripotassium;3-carboxy-2-hydroxy-3-oxidopentanedioate
PubChem CID172638618
Molecular FormulaC6H5K3O8
Molecular Weight322.39 g/mol
Exact Mass321.89
IUPAC Nametripotassium;3-carboxy-2-hydroxy-3-oxidopentanedioate
SMILESO=C([O-])CC([O-])(C(=O)O)C(O)C(=O)[O-].[K+].[K+].[K+]
InChIInChI=1S/C6H7O8.3K/c7-2(8)1-6(14,5(12)13)3(9)4(10)11;;;/h3,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q-1;3*+1/p-2
InChIKeyDLSSHJRNODUYQK-UHFFFAOYSA-L
XLogP-14.57
TPSA160.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 5-14.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

magnesium;dipotassium;1-hydroxy-2-oxidopropane-1,2,3-tricarboxylate;hydroxide
CID 156673974
calcium 3-carboxy-2,3-dihydroxypentanedioate
CID 170914892
tripotassium;(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate
CID 71587862
gallium;3-carboxy-3-hydroxypentanedioate;hydroxide
CID 6711621
3-carboxy-3,4,5-trihydroxy-5-oxopentanoate;bis(yttrium)
CID 58097663
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
3-carboxy-3-hydroxypentanedioate;strontium-87(2+)
CID 172866726
magnesium;3-carboxy-3-hydroxypentanedioate;2-hydroxypropanoic acid
CID 87589072
potassium;2,3-dihydroxybutanedioate;zirconium(2+)
CID 19373860
potassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate)
CID 90471392
2-[carboxy(hydroxy)methyl]-2-hydroxybutanedioate
CID 4093067
potassium;sodium;acetic acid;3-carboxy-3-hydroxypentanedioate
CID 173437587

Frequently Asked Questions

What is the IUPAC name of tripotassium;3-carboxy-2-hydroxy-3-oxidopentanedioate?
The IUPAC name of tripotassium;3-carboxy-2-hydroxy-3-oxidopentanedioate (CID 172638618) is tripotassium;3-carboxy-2-hydroxy-3-oxidopentanedioate.
What is the SMILES notation for tripotassium;3-carboxy-2-hydroxy-3-oxidopentanedioate?
The canonical SMILES for tripotassium;3-carboxy-2-hydroxy-3-oxidopentanedioate is O=C([O-])CC([O-])(C(=O)O)C(O)C(=O)[O-].[K+].[K+].[K+].
What is the InChIKey of tripotassium;3-carboxy-2-hydroxy-3-oxidopentanedioate?
The InChIKey is DLSSHJRNODUYQK-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H7O8.3K/c7-2(8)1-6(14,5(12)13)3(9)4(10)11;;;/h3,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q-1;3*+1/p-2.
What are the key properties of tripotassium;3-carboxy-2-hydroxy-3-oxidopentanedioate?
tripotassium;3-carboxy-2-hydroxy-3-oxidopentanedioate has a molecular weight of 322.39 g/mol, XLogP of -14.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;3-carboxy-2-hydroxy-3-oxidopentanedioate is sourced from PubChem (CID 172638618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).