Structure Database (LMSD)
Common Name
(2S,3R)-3-hydroxy-2-methylpentanoic acid
Systematic Name
(2S,3R)-3-hydroxy-2-methylpentanoic acid
Synonyms
- (2S,3R)-2-methyl-3-hydroxypentanoic acid
- (2S,3R)-3-hydroxy-2-methylvaleric acid
No other lipid differing only in stereochemistry/bond geometry found
3D model of (2S,3R)-3-hydroxy-2-methylpentanoic 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)
NVIHALDXJWGLFD-CRCLSJGQSA-N
InChi (Click to copy)
InChI=1S/C6H12O3/c1-3-5(7)4(2)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t4-,5+/m0/s1
SMILES (Click to copy)
[C@H](C)([C@H](O)CC)C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
136.09
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
0.76
Molar Refractivity
33.61
Admin
Created at
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Updated at
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