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

C4H5O6- — CID 24755569

IUPAC(2S,3R)-2,3,4-trihydroxy-4-oxobutanoate
SMILESO=C([O-])[C@@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-1/t1-,2+
InChIKeyFEWJPZIEWOKRBE-XIXRPRMCSA-M
MW149.08 g/mol
LogP-3.46
Rot. Bonds3

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

(2S,3R)-2,3,4-trihydroxy-4-oxobutanoate (PubChem CID 24755569) has the molecular formula C4H5O6- and a molecular weight of 149.08 g/mol. Its IUPAC name is (2S,3R)-2,3,4-trihydroxy-4-oxobutanoate.

Molecular Properties

Compound Name(2S,3R)-2,3,4-trihydroxy-4-oxobutanoate
PubChem CID24755569
Molecular FormulaC4H5O6-
Molecular Weight149.08 g/mol
Exact Mass149.01
IUPAC Name(2S,3R)-2,3,4-trihydroxy-4-oxobutanoate
SMILESO=C([O-])[C@@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-1/t1-,2+
InChIKeyFEWJPZIEWOKRBE-XIXRPRMCSA-M
XLogP-3.46
TPSA117.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.08
LogP ≤ 5-3.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

azanium 2,3,4-trihydroxy-4-oxobutanoate
CID 6432315
chromium(3+);tris(2,3,4-trihydroxy-4-oxobutanoate)
CID 173015328
potassium;azane;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 102600774
CID 6378487
CID 6378487
methylazanium;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
CID 139045346
sodium;oxobismuthanylium;bis(2,3,4-trihydroxy-4-oxobutanoate)
CID 158452904
2,3-dihydroxybutanedioate
CID 19608871
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
CID 3080629
2,3-dihydroxybutanedioate;manganese(2+)
CID 22027285
sodium;2,3-dihydroxybutanedioic acid;hydrogen carbonate;hydrate
CID 162037080
magnesium;sodium;zinc;2,3,4-trihydroxy-4-oxobutanoate;disulfate
CID 172720398

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3,4-trihydroxy-4-oxobutanoate?
The IUPAC name of (2S,3R)-2,3,4-trihydroxy-4-oxobutanoate (CID 24755569) is (2S,3R)-2,3,4-trihydroxy-4-oxobutanoate.
What is the SMILES notation for (2S,3R)-2,3,4-trihydroxy-4-oxobutanoate?
The canonical SMILES for (2S,3R)-2,3,4-trihydroxy-4-oxobutanoate is O=C([O-])[C@@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of (2S,3R)-2,3,4-trihydroxy-4-oxobutanoate?
The InChIKey is FEWJPZIEWOKRBE-XIXRPRMCSA-M. The full InChI is InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-1/t1-,2+.
What are the key properties of (2S,3R)-2,3,4-trihydroxy-4-oxobutanoate?
(2S,3R)-2,3,4-trihydroxy-4-oxobutanoate has a molecular weight of 149.08 g/mol, XLogP of -3.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3,4-trihydroxy-4-oxobutanoate is sourced from PubChem (CID 24755569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).