potassium (2R,3R)-2-(carboxymethyl)-3,4-dihydroxy-4-oxobutanoate

C6H7KO7 — CID 122361543

IUPACpotassium (2R,3R)-2-(carboxymethyl)-3,4-dihydroxy-4-oxobutanoate
SMILESO=C(O)CC(C(=O)[O-])[C@@H](O)C(=O)O.[K+]
InChIInChI=1S/C6H8O7.K/c7-3(8)1-2(5(10)11)4(9)6(12)13;/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);/q;+1/p-1/t2?,4-;/m1./s1
InChIKeyIVLPTBJBFVJENN-ADDMCRJJSA-M
MW230.21 g/mol
LogP-5.72
Rot. Bonds5

About potassium (2R,3R)-2-(carboxymethyl)-3,4-dihydroxy-4-oxobutanoate

potassium (2R,3R)-2-(carboxymethyl)-3,4-dihydroxy-4-oxobutanoate (PubChem CID 122361543) has the molecular formula C6H7KO7 and a molecular weight of 230.21 g/mol. Its IUPAC name is potassium (2R,3R)-2-(carboxymethyl)-3,4-dihydroxy-4-oxobutanoate.

Molecular Properties

Compound Namepotassium (2R,3R)-2-(carboxymethyl)-3,4-dihydroxy-4-oxobutanoate
PubChem CID122361543
Molecular FormulaC6H7KO7
Molecular Weight230.21 g/mol
Exact Mass229.98
IUPAC Namepotassium (2R,3R)-2-(carboxymethyl)-3,4-dihydroxy-4-oxobutanoate
SMILESO=C(O)CC(C(=O)[O-])[C@@H](O)C(=O)O.[K+]
InChIInChI=1S/C6H8O7.K/c7-3(8)1-2(5(10)11)4(9)6(12)13;/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);/q;+1/p-1/t2?,4-;/m1./s1
InChIKeyIVLPTBJBFVJENN-ADDMCRJJSA-M
XLogP-5.72
TPSA134.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 5-5.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 141140377
(1R,2S)-1-hydroxypropane-1,2,3-tricarboxylate
CID 5459771
(2R,3R)-3-(carboxymethyl)-2-hydroxy-4-oxopentanedioic acid;(2S,3R)-3-(carboxymethyl)-2-hydroxy-4-oxopentanedioic acid;(2R,3S)-3-(carboxymethyl)-2-hydroxy-4-oxopentanedioic acid;(2S,3S)-3-(carboxymethyl)-2-hydroxy-4-oxopentanedioic acid;3-(carboxymethyl)-2-hydroxy-4-oxopentanedioic acid;methane
CID 158909467
potassium;azane;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 102600774
(2S,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 24755569
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
potassium (2R,3S,4S,5S)-2,3,4,5,6-pentahydroxy-6-oxohexanoate
CID 23674495
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;1-hydroxypropane-1,2,3-tricarboxylic acid
CID 18977026
chromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate)
CID 173015328
azanium 2,3,4-trihydroxy-4-oxobutanoate
CID 6432315
potassium;sodium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;2,3,4-trihydroxy-4-oxobutanoate
CID 174420793
potassium;2,3-dihydroxybutanedioate;zirconium(2+)
CID 19373860

Frequently Asked Questions

What is the IUPAC name of potassium (2R,3R)-2-(carboxymethyl)-3,4-dihydroxy-4-oxobutanoate?
The IUPAC name of potassium (2R,3R)-2-(carboxymethyl)-3,4-dihydroxy-4-oxobutanoate (CID 122361543) is potassium (2R,3R)-2-(carboxymethyl)-3,4-dihydroxy-4-oxobutanoate.
What is the SMILES notation for potassium (2R,3R)-2-(carboxymethyl)-3,4-dihydroxy-4-oxobutanoate?
The canonical SMILES for potassium (2R,3R)-2-(carboxymethyl)-3,4-dihydroxy-4-oxobutanoate is O=C(O)CC(C(=O)[O-])[C@@H](O)C(=O)O.[K+].
What is the InChIKey of potassium (2R,3R)-2-(carboxymethyl)-3,4-dihydroxy-4-oxobutanoate?
The InChIKey is IVLPTBJBFVJENN-ADDMCRJJSA-M. The full InChI is InChI=1S/C6H8O7.K/c7-3(8)1-2(5(10)11)4(9)6(12)13;/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);/q;+1/p-1/t2?,4-;/m1./s1.
What are the key properties of potassium (2R,3R)-2-(carboxymethyl)-3,4-dihydroxy-4-oxobutanoate?
potassium (2R,3R)-2-(carboxymethyl)-3,4-dihydroxy-4-oxobutanoate has a molecular weight of 230.21 g/mol, XLogP of -5.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (2R,3R)-2-(carboxymethyl)-3,4-dihydroxy-4-oxobutanoate is sourced from PubChem (CID 122361543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).