Structure Database (LMSD)
Common Name
(S)-4-hydroxy-2-oxopentanoic acid
Systematic Name
(4S)-4-hydroxy-2-oxopentanoic acid
Synonyms
- (4S)-4-hydroxy-2-ketovaleric acid
- (4S)-4-hydroxy-2-oxovaleric acid
- (S)-4-hydroxy-2-ketopentanoic acid
No other lipid differing only in stereochemistry/bond geometry found
3D model of (S)-4-hydroxy-2-oxopentanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
HFKQINMYQUXOCH-VKHMYHEASA-N
InChi (Click to copy)
InChI=1S/C5H8O4/c1-3(6)2-4(7)5(8)9/h3,6H,2H2,1H3,(H,8,9)/t3-/m0/s1
SMILES (Click to copy)
C[C@H](O)CC(=O)C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
124.94
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
-0.30
Molar Refractivity
29.45
Admin
Created at
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Updated at
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