Structure Database (LMSD)

Common Name
4-hydroxy-isovaleric acid
Systematic Name
3-methyl-4-hydroxy-butanoic acid
Synonyms
LM ID
LMFA01050399
Formula
Exact Mass
Calculate m/z
118.062995
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
ZGYGEPZZMAXSKH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H10O3/c1-4(3-6)2-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)
SMILES (Click to copy)
C(=O)(O)CC(C)CO

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 118.79
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 0.37
Molar Refractivity 28.99

Admin

Created at
-
Updated at
-