Structure Database (LMSD)
Common Name
2S-Hydroxy-2-isopropylbutano-3S-lactone
Systematic Name
2S-Hydroxy-2-isopropylbutano-3S-lactone
Synonyms
- (2S,3S)-2-Hydroxy-2-isopropylbutano-3-lactone
No other lipid differing only in stereochemistry/bond geometry found
3D model of 2S-Hydroxy-2-isopropylbutano-3S-lactone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
KHKLGIPKSSNKPU-FSPLSTOPSA-N
InChi (Click to copy)
InChI=1S/C7H12O3/c1-4(2)7(9)5(3)10-6(7)8/h4-5,9H,1-3H3/t5-,7-/m0/s1
SMILES (Click to copy)
O1C(=O)[C@](O)(C(C)C)[C@@H]1C
References
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
1
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
141.03
Topological Polar Surface Area
48.60
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
0.89
Molar Refractivity
36.37
Admin
Created at
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Updated at
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