potassium (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate

C4H5KO6 — CID 23681127

IUPACpotassium (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
SMILESO=C([O-])[C@H](O)[C@@H](O)C(=O)O.[K+]
InChIInChI=1S/C4H6O6.K/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+1/p-1/t1-,2-;/m1./s1
InChIKeyKYKNRZGSIGMXFH-ZVGUSBNCSA-M
MW188.18 g/mol
LogP-6.45
Rot. Bonds3

About potassium (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate

potassium (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate (PubChem CID 23681127) has the molecular formula C4H5KO6 and a molecular weight of 188.18 g/mol. Its IUPAC name is potassium (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate.

Molecular Properties

Compound Namepotassium (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
PubChem CID23681127
Molecular FormulaC4H5KO6
Molecular Weight188.18 g/mol
Exact Mass187.97
IUPAC Namepotassium (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
SMILESO=C([O-])[C@H](O)[C@@H](O)C(=O)O.[K+]
InChIInChI=1S/C4H6O6.K/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+1/p-1/t1-,2-;/m1./s1
InChIKeyKYKNRZGSIGMXFH-ZVGUSBNCSA-M
XLogP-6.45
TPSA117.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-6.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate?
The IUPAC name of potassium (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate (CID 23681127) is potassium (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate.
What is the SMILES notation for potassium (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate?
The canonical SMILES for potassium (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate is O=C([O-])[C@H](O)[C@@H](O)C(=O)O.[K+].
What is the InChIKey of potassium (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate?
The InChIKey is KYKNRZGSIGMXFH-ZVGUSBNCSA-M. The full InChI is InChI=1S/C4H6O6.K/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+1/p-1/t1-,2-;/m1./s1.
What are the key properties of potassium (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate?
potassium (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate has a molecular weight of 188.18 g/mol, XLogP of -6.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2R,3R)-2,3,4-trihydroxy-4-oxobutanoate is sourced from PubChem (CID 23681127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).